Sphingosine-1-phosphate Receptor Modulators for Selective Therapeutic Treatment

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Solution Overview

Problem

Current treatments for disorders associated with sphingosine-1-phosphate receptor modulation lack effective and selective modulators, which are crucial for addressing various diseases including cardiovascular diseases, cancers, and inflammatory conditions.

Innovation Solution

Development of novel compounds, specifically represented by Formula I, which act as potent and selective sphingosine-1-phosphate modulators, including receptor agonists, antagonists, and inverse agonists, to treat a wide range of disorders by modulating sphingosine-1-phosphate receptors.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Reliability

If current treatments are used for disorders associated with sphingosine-1-phosphate receptor modulation, then existing therapeutic approaches are maintained, but effective and selective modulators are lacking

Engineering Contradiction:
Improvetherapeutic effectivenessVSAvoidreceptor modulation selectivity
Core Design Contradiction:
ReliabilityVSAdaptability or versatility

Solution Approach 1:

The patent applies parameter changes by systematically varying molecular parameters of the compounds (Formula I) including substituent groups R1-R9, ring structures, and functional groups to optimize both therapeutic effectiveness and receptor modulation selectivity. This involves changing chemical structure parameters to achieve desired pharmacological properties

Inventive Principle:
Principle #35Parameter changes

Solution Approach 2:

The patent applies local quality by introducing specific functional groups and substituent patterns at particular positions in the molecular structure (different R groups at different positions) to achieve selective interaction with specific sphingosine-1-phosphate receptors, thereby enhancing both effectiveness and selectivity simultaneously

Inventive Principle:
Principle #3Local quality

2Adaptability or versatility

If novel compounds of Formula I are developed as sphingosine-1-phosphate modulators, then therapeutic benefits across multiple disease areas are achieved, but compound structure complexity increases

Engineering Contradiction:
Improvetherapeutic applicabilityVSAvoidmolecular structure complexity
Core Design Contradiction:
Adaptability or versatilityVSDevice complexity

Solution Approach 1:

The patent applies universality by designing compounds of Formula I that can function as multiple types of receptor modulators (agonists, antagonists, inverse agonists) depending on the specific molecular configuration, allowing a single compound class to address multiple disease areas including cardiovascular diseases, cancers, and inflammatory conditions

Inventive Principle:
Principle #6Universality (Multi-functionality)

Solution Approach 2:

The patent applies segmentation by dividing the molecular structure into distinct functional segments (R1-R9 substituent groups, core ring structures, linker regions) that can be independently optimized, allowing complex therapeutic functionality to be achieved through modular assembly of structured components

Inventive Principle:
Principle #1Segmentation

Data Source

PatentUS8828973B2Compounds as receptor modulators with therapeutic utility
Publication Date: 2014.09.09 ALLERGAN INC
  • US8828973B2 patent drawing
  • US8828973B2 patent drawing
  • US8828973B2 patent drawing

AI summary

The present invention relates to novel amine derivatives, processes for preparing them, pharmaceutical compositions containing them and their use as pharmaceuticals as modulators of sphingosine-1-phosphate receptors.