⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3046269 | 0.88 | — | — | |
| SCHEMBL3413720 | 0.84 | — | — | |
| SCHEMBL2978122 | 0.83 | CARM1 (0.34) | — | |
| SCHEMBL2977684 | 0.83 | CARM1 (0.34) | — | |
| SCHEMBL1022349 | 0.81 | HTR4 (0.34) | — | |
| SCHEMBL3043610 | 0.81 | HTR4 (0.33) | — | |
| SCHEMBL1073407 | 0.81 | HTR4 (0.34) | — | |
| SCHEMBL5461486 | 0.81 | — | — | |
| SCHEMBL17162479 | 0.81 | HTR4 (0.33) | — | |
| SCHEMBL1023878 | 0.81 | HTR4 (0.33) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1871772-B1 | QUINOLINONE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS | THERAVANCE INC (US) | 2014-09-10 | — | — | EP | disclosed |
| US-20100261716-A1 | INDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS | THERAVANCE, INC. (US) | 2010-10-14 | — | — | US | disclosed |
| US-7674908-B2 | Indazole-carboxamide compounds as 5-HT4 receptor agonists | THERAVANCE, INC. (US) | 2010-03-09 | — | — | US | disclosed |
| US-20090036483-A1 | QUINOLINONE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS | THERAVANCE BIOPHARMA R&D IP, LLC | 2009-02-05 | — | — | US | disclosed |
| US-20080146807-A1 | Indazole-carboxamide compounds as 5-HT4 receptor agonists | THERAVANCE BIOPHARMA R&D IP, LLC | 2008-06-19 | — | — | US | disclosed |
| US-7351704-B2 | Indazole-carboxamide compounds as 5-HT4 receptor agonists | THERAVANCE, INC. (US) | 2008-04-01 | — | — | US | disclosed |
| US-20060183901-A1 | Crystalline form of an indazole-carboxamide compound | THERAVANCE, INC. | 2006-08-17 | — | — | US | disclosed |
| US-20050197335-A1 | 1-isopropyl-1H-indazole-3-carboxylic acid {(1S,3R,5R)-8-[2-(4-acetylpiperazin-1-yl)-ethyl]8-azabicyclo[3.2.1]oct-3-yl}amide; improved pharmacokinetic, bioavailability; gastrointestinal disorders: irritable bowel syndrome (IBS), chronic constipation, dyspepsia; CNS behavioral, mood disorder | THERAVANCE BIOPHARMA R&D IP, LLC | 2005-09-08 | — | — | US | disclosed |