SCHEMBL3411552

SCHEMBL3411552

O=C(O)c1nn(C2CCCC2)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
OPRM1 P35372 9/20 0.43
OPRK1 P41145 9/20 0.43
OGFRL1 Q5TC84 9/20 0.43
OPRD1 P41143 8/20 0.43
HTR3A P46098 2/20 0.43
HTR3E A5X5Y0 1/20 0.43
SLC22A2 O15244 1/20 0.43
HTR3B O95264 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
KCNH2 Q12809 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
SLC47A1 Q96FL8 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
OPRL1 P41146 2/20 0.43
PDE4A P27815 1/20 0.43

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
SCHEMBL8718634 0.98 KDM4E (0.49) KDM4EOPRM1OPRK1OGFRL1OPRD1
SCHEMBL2078485 0.97 HTR3A (0.46) KDM4EOPRM1OPRK1OGFRL1OPRD1
SCHEMBL31429395 0.94 CYP3A4 (0.44) KDM4EOPRM1OPRK1OGFRL1OPRD1
SCHEMBL5316749 0.87 SSTR4 (0.49)
SCHEMBL8876610 0.87 ELANE (0.51) KDM4EOPRM1OPRK1OGFRL1OPRD1
SCHEMBL8713323 0.87 HTR3A (0.45) KDM4EHTR3AHTR3ESLC22A2HTR3B
SCHEMBL8718851 0.85 HTR3A (0.44) KDM4EOPRM1OPRK1OGFRL1OPRD1
SCHEMBL8717365 0.84 HTR3A (0.48) KDM4EOPRM1OPRK1OGFRL1OPRD1
SCHEMBL21725181 0.83 ELANE (0.54) KDM4EHTR3AHTR3ESLC22A2HTR3B
SCHEMBL25233771 0.82 MEN1 (0.40) KDM4EOPRM1OPRK1OGFRL1OPRD1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351704-B2 Indazole-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE, INC. (US) 2008-04-01 US claimed
CN-1922175-A As 5-HT4Indazole-carboxamide compounds as receptor agonists THERAVANCE INC (US) 2007-02-28 CN claimed
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 claimed
US-11572374-B2 N-cyano-7-azanorbornane derivatives and uses thereof AMGEN INC. (US) 2023-02-07 US disclosed
US-11572374-B2 N-cyano-7-azanorbornane derivatives and uses thereof AMGEN INC. (US) 2023-02-07 US disclosed
US-20220363694-A1 N-CYANO-7-AZANORBORNANE DERIVATIVES AND USES THEREOF AMGEN INC. (US) 2022-11-17 US disclosed
EP-3837262-A1 N-CYANO-7-AZANORBORNANE DERIVATIVES AND USES THEREOF Amgen Inc. (US) 2021-06-23 EP disclosed
WO-2020036940-A1 N-CYANO-7-AZANORBORNANE DERIVATIVES AND USES THEREOF AMGEN INC. (US) 2020-02-20 WO 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-20080146807-A1 Indazole-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2008-06-19 US disclosed
WO-2008054748-A2 INDAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-05-08 WO disclosed
US-7351704-B2 Indazole-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE, INC. (US) 2008-04-01 US disclosed
CN-1922175-A As 5-HT4Indazole-carboxamide compounds as receptor agonists THERAVANCE INC (US) 2007-02-28 CN 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
EP-0708105-B1 5-HT4 receptor agonists NISSHIN FLOUR MILLING CO (JP) 1998-12-23 EP disclosed
US-5684003-A GASTROINTESTINAL DISORDERS OR ANTIULCER AGENTS NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-11-04 US disclosed
EP-0708105-A1 5-HT4 receptor agonists NISSHIN FLOUR MILLING CO., LTD. (JP) 1996-04-24 EP 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 (5 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-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 KDM4E 1798/4885OPRM1 194/4885OPRK1 113/4885
US-20080146807-A1 Indazole-carboxamide compounds as 5-HT4 receptor agonists HTR4, HTR5A, HTR3B KDM4E 1226/4885OPRM1 145/4885OPRK1 127/4885
US-11572374-B2 N-cyano-7-azanorbornane derivatives and uses thereof CYP3A7, CYP51A1, NT5C3B KDM4E 586/4885OPRM1 4322/4885OPRK1 3832/4885
US-20220363694-A1 N-CYANO-7-AZANORBORNANE DERIVATIVES AND USES THEREOF CYP3A7, CYP51A1, NT5C3B KDM4E 586/4885OPRM1 4322/4885OPRK1 3832/4885
US-20100261716-A1 INDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR5A, HTR3B KDM4E 1226/4885OPRM1 145/4885OPRK1 127/4885

“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.