Substituted Piperidine OX2R Agonists Balancing Efficacy and Safety

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Solution Overview

Problem

Existing compounds with orexin type 2 receptor agonist activity are not satisfactory in terms of activity, pharmacokinetics, or safety, necessitating the development of a more effective compound for therapeutic applications.

Innovation Solution

A substituted piperidine compound represented by specific structural formulas, including various acyl, alkyl, and cycloalkyl groups, or their salts, which exhibit orexin type 2 receptor agonist activity.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Reliability

If existing compounds with orexin type 2 receptor agonist activity are used, then therapeutic effect is achieved, but activity and safety are not satisfactory

Engineering Contradiction:

Improvetherapeutic effectVSAvoidsafety

Core Design Contradiction:

ReliabilityVSObject-affected harmful factors

Solution Approach 1:

The patent modifies the chemical structure of existing orexin type 2 receptor agonists by changing parameters such as the piperidine ring substitution patterns, acyl group types, and alkyl chain lengths. These parameter changes optimize the balance between therapeutic activity and safety profile, producing compounds with improved pharmacological properties while maintaining efficacy.

Inventive Principle:

Principle #35Parameter changes

Solution Approach 2:

The invention creates composite molecular structures by combining specific functional groups (piperidine ring, acyl groups, alkyl chains, cycloalkyl groups) in defined configurations. This composite approach allows optimization of both therapeutic effect and safety by integrating multiple structural elements that contribute differently to pharmacological activity and toxicity profiles.

Inventive Principle:

Principle #40Composite materials

2Reliability

If existing compounds with orexin type 2 receptor agonist activity are used, then therapeutic effect is achieved, but pharmacokinetics are not satisfactory

Engineering Contradiction:

Improvetherapeutic effectVSAvoidpharmacokinetics

Core Design Contradiction:

ReliabilityVSDuration of action of moving object

Solution Approach 1:

The patent systematically varies key structural parameters including the type of acyl group (aliphatic, aromatic, heterocyclic), the length and branching of alkyl chains, and the substitution patterns on the piperidine ring. These parameter changes directly influence pharmacokinetic properties such as absorption, distribution, metabolism, and excretion, thereby optimizing the duration and profile of therapeutic action.

Inventive Principle:

Principle #35Parameter changes

Solution Approach 2:

The invention introduces dynamic optimization of pharmacokinetic properties through structural variations that allow the compounds to adapt their interaction with biological systems. By adjusting molecular flexibility, hydrophobicity, and steric characteristics through different substituent combinations, the compounds achieve optimized pharmacokinetic profiles including improved bioavailability and sustained action.

Inventive Principle:

Principle #15Dynamics

Data Source

PatentUS20260001843A1Substituted piperidine compound and use thereof

Publication Date: 2026.01.01 TAKEDA PHARMA CO LTD

AI summary

Provided is a substituted piperidine compound having an orexin type 2 receptor agonist activity. A compound represented by the formula (I):wherein each symbol is as described in the DESCRIPTION, or a salt thereof has an orexin type 2 receptor agonist activity, and is useful as a prophylactic or therapeutic agent for narcolepsy.