SCHEMBL1613352

SCHEMBL1613352

O=CCCc1ccccc1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.54
GPR52 Q9Y2T5 1/20 0.53
IDO1 P14902 2/20 0.47
TSHR P16473 2/20 0.40
PLCG1 P19174 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
NFKB1 P19838 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
BLM P54132 1/20 0.36
CYP2A13 Q16696 1/20 0.35
KMT2A Q03164 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
SCHEMBL824824 0.88 TAAR1 (0.50) TAAR1GPR52IDO1TSHRPLCG1
SCHEMBL11193295 0.86 TAAR1 (0.48) TAAR1GPR52IDO1TSHRPLCG1
SCHEMBL11912455 0.84 TAAR1 (0.47) TAAR1GPR52IDO1TSHRPLCG1
SCHEMBL28607303 0.84 ADH1B (0.36) TAAR1GPR52TSHRCYP2D6ALDH1A1
SCHEMBL27446055 0.78 TAAR1 (0.54) TAAR1GPR52IDO1TSHRCYP1A2
SCHEMBL5925354 0.78 TAAR1 (0.54) TAAR1GPR52IDO1TSHRCYP1A2
SCHEMBL29351396 0.78 TAAR1 (0.71) TAAR1GPR52IDO1TSHRCYP1A2
SCHEMBL6738136 0.78 TAAR1 (0.71) TAAR1GPR52IDO1TSHRCYP1A2
SCHEMBL33530596 0.78 TAAR1 (0.58) TAAR1GPR52IDO1TSHRPLCG1
SCHEMBL5604774 0.78 TAAR1 (0.58) TAAR1GPR52IDO1TSHRPLCG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015193910-A1 ASYMMETRIC SYNTHESIS OF 2-SUBSTITUTED INDOLINES AND 3-SUBSTITUTED CINNOLINES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-12-23 WO claimed
EP-3755732-A1 KETONE-CONTAINING CONTROLLED RADICAL INITIATORS FOR POLYMERIZATION REACTIONS 3M Innovative Properties Company (US) 2020-12-30 EP disclosed
WO-2019162805-A1 KETONE-CONTAINING CONTROLLED RADICAL INITIATORS FOR POLYMERIZATION REACTIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2019-08-29 WO disclosed
CN-106632130-B Furodiazole compound and its application in preparation prevention and/or treatment diabetes B drug 中国科学院海洋研究所 2019-07-26 CN disclosed
EP-2970215-B1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND (DE) 2019-04-17 EP disclosed
CN-107973809-A MACROCYCLES AS FACTOR XIA INHIBITORS 百时美施贵宝公司 2018-05-01 CN disclosed
CN-105164113-B Pyrroloamide inhibitors 艾伯维公司 2018-03-02 CN disclosed
US-9901571-B2 Tetrahydropyrazolopyridine derivatives as ghrelin receptor agonists RAQUALIA PHARMA INC. (JP) 2018-02-27 US disclosed
US-20180030007-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2018-02-01 US disclosed
CN-102753555-B Macrocycles as Factor XIA Inhibitors 百时美施贵宝公司 2018-01-12 CN disclosed
EP-0796618-B1 Treatment and prophylaxis of pancreatitis SANKYO CO (JP) 2002-01-30 EP disclosed
WO-2000041690-A9 USE OF THIAZOLIDINEDIONES TO AMELIORATE THE ADVERSE CONSEQUENCES OF MYOCARDIAL ISCHEMIA ON MYOCARDIAL FUNCTION AND METABOLISM UNIV CALIFORNIA (US) 2001-10-11 WO disclosed
EP-1137415-A1 MYT1 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-10-04 EP disclosed
WO-2000041690-A1 USE OF THIAZOLIDINEDIONES TO AMELIORATE THE ADVERSE CONSEQUENCES OF MYOCARDIAL ISCHEMIA ON MYOCARDIAL FUNCTION AND METABOLISM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-07-20 WO disclosed
WO-2000033842-A1 MYT1 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-06-15 WO disclosed
US-5968960-A ANTIISCHEMIC AGENTS AND HYPOTENSIVE AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-10-19 US disclosed
US-5804590-A ADMINISTERING DERIVATIVES OF THIAZOLIDINE; ANTI-DIABETIC AGENTS. SANKYO COMPANY, LIMITED (JP) 1998-09-08 US disclosed
US-5753681-A INSULIN SENSITIZERS SANKYO COMPANY, LIMITED (JP) 1998-05-19 US disclosed
EP-0796618-A1 Treatment and prophylaxis of pancreatitis SANKYO COMPANY LIMITED (JP) 1997-09-24 EP disclosed
EP-0783888-A1 Use of troglitazone and related thiazolidinediones in the manufacture of a medicament for the treatment and prophylaxis of osteoporosis SANKYO COMPANY LIMITED (JP) 1997-07-16 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 (1 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-20180030007-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNA5, CHRNA6 TAAR1 149/4885GPR52 68/4885IDO1 495/4885

“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.