SCHEMBL961272

SCHEMBL961272

CC(C)n1c(=O)c(C(=O)O)cc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 18/20 0.57
MCL1 Q07820 1/20 0.45
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL30827426 1.00 HTR4 (0.57) HTR4MCL1POLBHTT
Hydrochloric Acid SCHEMBL9020820 0.98 HTR4 (0.56) HTR4MCL1POLBHTT
SCHEMBL7804705 0.86 HTR4 (0.57) HTR4
SCHEMBL30337559 0.86 HTR4 (0.56) HTR4POLBHTT
SCHEMBL7806682 0.80 KDM4E (0.55) HTR4
SCHEMBL1372897 0.79 DAO (0.62) MCL1
SCHEMBL5823619 0.79 MCL1 (0.62) HTR4MCL1POLB
SCHEMBL30086987 0.79 DAO (0.62) MCL1
SCHEMBL18537084 0.79 HTR4 (0.49) HTR4
SCHEMBL2010294 0.78 POLB (0.46) HTR4POLBHTT

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 243 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11642339-B2 Methods of treating symptoms of gastroparesis using velusetrag THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-05-09 US claimed
US-20190030022-A1 METHODS OF TREATING SYMPTOMS OF GASTROPARESIS USING VELUSETRAG THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-01-31 US claimed
EP-2419104-B1 COMBINATIONS OF 5-HT4 RECEPTOR AGONISTS AND ACETYLCHOLINESTERASE INHIBITORS FOR TREATMENT OF COGNITIVE DISORDERS THERAVANCE BIOPHARMA R&D IP LLC (US) 2017-11-08 EP claimed
US-9630960-B2 Quinolinone-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-04-25 US claimed
US-20160376264-A1 QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-12-29 US claimed
CN-105832735-A 5-HT4 receptor agonist compounds for treatment of cognitive disorders 施万生物制药研发IP有限责任公司 2016-08-10 CN claimed
US-9402840-B2 Crystalline form of a quinolinone-carboxamide compound THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-08-02 US claimed
US-20160095849-A1 CRYSTALLINE FORM OF A QUINOLINONE-CARBOXAMIDE COMPOUND THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-04-07 US claimed
US-9126994-B2 Crystalline form of a quinolinone-carboxamide compound THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-09-08 US claimed
US-20140256769-A1 CRYSTALLINE FORM OF A QUINOLINONE-CARBOXAMIDE COMPOUND THERAVANCE, INC. (US) 2014-09-11 US claimed
EP-1735304-A1 QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS Theravance, Inc. (US) 2006-12-27 EP claimed
WO-2006108127-A2 CRYSTALLINE FORM OF A QUINOLINONE-CARBOXAMIDE COMPOUND THERAVANCE, INC. (US) 2006-10-12 WO claimed
US-20060229332-A1 crystalline hydrochloride salt of 1-isopropyl-2-oxo-1,2-dihydroquinoline-3-carboxylic acid {(1S,3R,5R)-8-[(R)-2-hydroxy-3-(methanesulfonyl-methyl-amino)propyl]-8-azabicyclo[3.2.1]oct-3-yl}amide or solvate thereof; treating disease associated with 5-HT4 receptor activity; gastrointestinal tract disorder THERAVANCE, INC. 2006-10-12 US claimed
WO-2006094063-A1 QUINOLINONE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE, INC. (US) 2006-09-08 WO claimed
US-20060199839-A1 Quinolinone compounds as 5-HT4 receptor agonists THERAVANCE, INC. 2006-09-07 US claimed
WO-2006052640-A1 5-HT4 RECEPTOR AGONIST COMPOUNDS THERAVANCE, INC. (US) 2006-05-18 WO claimed
US-20060100236-A1 For therapy of disorder of reduced motility of gastrointestinal tract, chronic constipation, functional dyspepsia, delayed gastric emptying, gastroesophageal reflux disease, gastroparesis, diabetic and iodiopathic gastropathy, post-operative ileus, intestinal pseudo-obstruction, irritable bowel syndrome THERAVANCE, INC. (US) 2006-05-11 US claimed
US-20060100426-A1 Quinolinone-carboxamide compounds THERAVANCE, INC. 2006-05-11 US claimed
WO-2005100350-A1 QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE, INC. (US) 2005-10-27 WO claimed
US-20050228014-A1 Quinolinone-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE, INC. 2005-10-13 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060199839-A1 Quinolinone compounds as 5-HT4 receptor agonists HTR4, HTR5A, HTR1A HTR4 1/4885MCL1 3282/4885POLB 3223/4885
US-20050228014-A1 Quinolinone-carboxamide compounds as 5-HT4 receptor agonists HTR4, HTR5A, HTR1A HTR4 1/4885MCL1 2866/4885POLB 3728/4885
US-20140256769-A1 CRYSTALLINE FORM OF A QUINOLINONE-CARBOXAMIDE COMPOUND HTR5A, HTR4, HTR2C HTR4 2/4885MCL1 3125/4885POLB 3157/4885
US-20160095849-A1 CRYSTALLINE FORM OF A QUINOLINONE-CARBOXAMIDE COMPOUND HTR5A, HTR4, HTR2C HTR4 2/4885MCL1 3125/4885POLB 3157/4885
US-20160376264-A1 QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR5A, HTR1A HTR4 1/4885MCL1 2866/4885POLB 3728/4885
US-11642339-B2 Methods of treating symptoms of gastroparesis using velusetrag SLC10A2, GIPR, VIPR2 HTR4 298/4885MCL1 4823/4885POLB 3447/4885
US-20060229332-A1 crystalline hydrochloride salt of 1-isopropyl-2-oxo-1,2-dihydroquinoline-3-carboxylic acid {(1S,3R,5R)-8-[(R)-2-hydroxy-3-(methanesulfonyl-methyl-amino)propyl]-8-azabicyclo[3.2.1]oct-3-yl}amide or solvate thereof; treating disease associated with 5-HT4 receptor activity; gastrointestinal tract disorder HTR4, HTR5A, HTR2C HTR4 1/4885MCL1 3986/4885POLB 2591/4885
US-20060100236-A1 For therapy of disorder of reduced motility of gastrointestinal tract, chronic constipation, functional dyspepsia, delayed gastric emptying, gastroesophageal reflux disease, gastroparesis, diabetic and iodiopathic gastropathy, post-operative ileus, intestinal pseudo-obstruction, irritable bowel syndrome GIPR, GPR4, GPR119 HTR4 8/4885MCL1 4877/4885POLB 3377/4885
US-20060100426-A1 Quinolinone-carboxamide compounds HTR4, HTR5A, HTR2C HTR4 1/4885MCL1 2718/4885POLB 3514/4885
US-20190030022-A1 METHODS OF TREATING SYMPTOMS OF GASTROPARESIS USING VELUSETRAG SLC10A2, GIPR, VIPR2 HTR4 298/4885MCL1 4823/4885POLB 3447/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.