SCHEMBL962940

SCHEMBL962940

CC1(C)NCc2ccccc2O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.42
NPSR1 Q6W5P4 2/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CYP2D6 P10635 2/20 0.35
TSHR P16473 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 1/20 0.35
PKM P14618 1/20 0.35
NFKB1 P19838 1/20 0.35
THPO P40225 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NISCH Q9Y2I1 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL30383033 1.00 OXTR (0.42) OXTRNPSR1GAAALDH1A1MAPT
SCHEMBL18322185 0.73 OXTR (0.48) OXTRNPSR1GAAALDH1A1MAPT
Hydrochloric Acid SCHEMBL18322135 0.72 OXTR (0.47) OXTRNPSR1GAAALDH1A1MAPT
SCHEMBL28164942 0.69 OXTR (0.37) OXTRNPSR1GAAALDH1A1MAOA
SCHEMBL18322610 0.68 OXTR (0.43) OXTRNPSR1GAAMAOBCYP2D6
SCHEMBL1441712 0.68 PKM (0.41) NPSR1ALDH1A1MAPTMAOAMAOB
SCHEMBL409751 0.67 MAOA (0.38) OXTRNPSR1GAAALDH1A1MAOA
SCHEMBL10192535 0.67 MAOA (0.37) MAOAMAOBSMN1; SMN2NISCHLMNA
SCHEMBL8370012 0.67 MGAM (0.47) GAAALDH1A1MAPTMAOAMAOB
SCHEMBL10382447 0.67 SMN1; SMN2 (0.36) NPSR1MAOAMAOBCYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873692-B2 Quinolinone-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-01-23 US disclosed
US-20170334901-A1 QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-11-23 US disclosed
US-9630960-B2 Quinolinone-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-04-25 US disclosed
US-20160376264-A1 QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-12-29 US disclosed
US-9402840-B2 Crystalline form of a quinolinone-carboxamide compound THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-08-02 US disclosed
US-9353106-B2 Quinolinone-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-05-31 US disclosed
US-20160095849-A1 CRYSTALLINE FORM OF A QUINOLINONE-CARBOXAMIDE COMPOUND THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-04-07 US disclosed
US-20150291580-A1 QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-10-15 US disclosed
US-9126994-B2 Crystalline form of a quinolinone-carboxamide compound THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-09-08 US disclosed
US-8962653-B2 Quinolinone-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-02-24 US disclosed
WO-2006108127-A2 CRYSTALLINE FORM OF A QUINOLINONE-CARBOXAMIDE COMPOUND THERAVANCE, INC. (US) 2006-10-12 WO disclosed
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 disclosed
WO-2006094063-A1 QUINOLINONE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE, INC. (US) 2006-09-08 WO disclosed
US-20060199839-A1 Quinolinone compounds as 5-HT4 receptor agonists THERAVANCE, INC. 2006-09-07 US disclosed
WO-2006052889-A2 QUINOLINONE-CARBOXAMIDE COMPOUNDS THERAVANCE, INC. (US) 2006-05-18 WO disclosed
WO-2006052640-A1 5-HT4 RECEPTOR AGONIST COMPOUNDS THERAVANCE, INC. (US) 2006-05-18 WO disclosed
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 disclosed
US-20060100426-A1 Quinolinone-carboxamide compounds THERAVANCE, INC. 2006-05-11 US disclosed
WO-2005100350-A1 QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE, INC. (US) 2005-10-27 WO disclosed
US-20050228014-A1 Quinolinone-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE, INC. 2005-10-13 US disclosed

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

For each of this compound's patents that has machine-readable text (9 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 OXTR 471/4885NPSR1 58/4885GAA 3504/4885
US-20050228014-A1 Quinolinone-carboxamide compounds as 5-HT4 receptor agonists HTR4, HTR5A, HTR1A OXTR 498/4885NPSR1 64/4885GAA 3859/4885
US-20160095849-A1 CRYSTALLINE FORM OF A QUINOLINONE-CARBOXAMIDE COMPOUND HTR5A, HTR4, HTR2C OXTR 687/4885NPSR1 46/4885GAA 2811/4885
US-20160376264-A1 QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR5A, HTR1A OXTR 498/4885NPSR1 64/4885GAA 3859/4885
US-20150291580-A1 QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR5A, HTR1A OXTR 498/4885NPSR1 64/4885GAA 3859/4885
US-20170334901-A1 QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR5A, HTR1A OXTR 498/4885NPSR1 64/4885GAA 3859/4885
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 OXTR 323/4885NPSR1 116/4885GAA 2484/4885
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 OXTR 882/4885NPSR1 153/4885GAA 2067/4885
US-20060100426-A1 Quinolinone-carboxamide compounds HTR4, HTR5A, HTR2C OXTR 682/4885NPSR1 74/4885GAA 2809/4885

“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.