SCHEMBL962030

SCHEMBL962030

CS(=O)(=O)CS(=O)(=O)N1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.35
ALDH1A1 P00352 3/20 0.35
USP2 O75604 1/20 0.33
PKM P14618 1/20 0.32
POLB P06746 1/20 0.30

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
SCHEMBL894516 0.81 KDM4E (0.50) KMT2AKDM4EMAPTALDH1A1USP2
SCHEMBL323522 0.81 KDM4E (0.50) KMT2AKDM4EMAPTALDH1A1USP2
Hydrochloric Acid SCHEMBL999646 0.79 KDM4E (0.48) KMT2AKDM4EMAPTALDH1A1USP2
SCHEMBL190917 0.74 L3MBTL1 (0.45) KMT2AKDM4EMAPTALDH1A1USP2
SCHEMBL5013 0.74 KDM4E (0.52) KMT2AKDM4EMAPTALDH1A1USP2
SCHEMBL477197 0.74 KDM4E (0.52) KMT2AKDM4EMAPTALDH1A1USP2
SCHEMBL5989668 0.73 KDM4E (0.46) KMT2AKDM4EMAPTALDH1A1USP2
SCHEMBL11058841 0.73 KDM4E (0.46) KMT2AKDM4EMAPTALDH1A1USP2
SCHEMBL5464811 0.73 KDM4E (0.46) KMT2AKDM4EMAPTALDH1A1USP2
SCHEMBL3598094 0.73 KDM4E (0.46) KMT2AKDM4EMAPTALDH1A1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871772-B1 QUINOLINONE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE INC (US) 2014-09-10 EP disclosed
US-8044045-B2 Indazole-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE, INC. (US) 2011-10-25 US disclosed
US-8003664-B2 Indazole-carboxamide compounds THERAVANCE, INC. (US) 2011-08-23 US disclosed
US-7875629-B2 minimal side effects, improved selectivity, potency, pharmacokinetics, and/or duration of action; 1-isopropyl-2-oxo-1,2-dihydroquinoline-3-carboxylic acid {(1S,3R,5R)-8-[3-(4-methanesulfonylpiperazine-1-sulfonyl)propyl]-8-azabicyclo[3.2.1]oct-3-yl}amide; reduced motility of the gastrointestinal tract THERAVANCE, INC. (US) 2011-01-25 US disclosed
US-20100292223-A1 INDAZOLE-CARBOXAMIDE COMPOUNDS THERAVANCE, INC. (US) 2010-11-18 US disclosed
US-20100261716-A1 INDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE, INC. (US) 2010-10-14 US disclosed
US-7786136-B2 Indazole-carboxamide compounds THERAVANCE, INC. (US) 2010-08-31 US disclosed
EP-1831211-B1 INDAZOLE-CARBOXAMIDE COMPOUNDS THERAVANCE INC (US) 2010-06-02 EP disclosed
US-7674908-B2 Indazole-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE, INC. (US) 2010-03-09 US disclosed
EP-1807422-B1 5-HT4 RECEPTOR AGONIST COMPOUNDS THERAVANCE INC (US) 2009-09-02 EP 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-2006069125-A1 INDAZOLE-CARBOXAMIDE COMPOUNDS THERAVANCE, INC. (US) 2006-06-29 WO disclosed
US-20060135764-A1 Indazole-carboxamide compounds THERAVANCE, INC. 2006-06-22 US disclosed
WO-2006052640-A1 5-HT4 RECEPTOR AGONIST COMPOUNDS THERAVANCE, INC. (US) 2006-05-18 WO disclosed
WO-2006052889-A2 QUINOLINONE-CARBOXAMIDE 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
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
WO-2005080389-A1 INDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE, INC. (US) 2005-09-01 WO 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 (7 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 KMT2A 2124/4885KDM4E 1499/4885MAPT 2978/4885
US-20100292223-A1 INDAZOLE-CARBOXAMIDE COMPOUNDS HTR4, HTR5A, HTR3B KMT2A 2426/4885KDM4E 1283/4885MAPT 2189/4885
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 HTR4, HTR5A, HTR3C KMT2A 2249/4885KDM4E 1798/4885MAPT 2864/4885
US-20060135764-A1 Indazole-carboxamide compounds HTR4, HTR5A, HTR3B KMT2A 2426/4885KDM4E 1283/4885MAPT 2189/4885
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 KMT2A 4259/4885KDM4E 3939/4885MAPT 4841/4885
US-20060100426-A1 Quinolinone-carboxamide compounds HTR4, HTR5A, HTR2C KMT2A 1724/4885KDM4E 1306/4885MAPT 2690/4885
US-20100261716-A1 INDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR5A, HTR3B KMT2A 2306/4885KDM4E 1226/4885MAPT 2525/4885

“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.