SCHEMBL833882

SCHEMBL833882

COc1cccc(CC[O])c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.67
CHRM2 P08172 3/20 0.62
CHRM1 P11229 3/20 0.62
CHRM3 P20309 3/20 0.62
SIGMAR1 Q99720 1/20 0.59
AOC3 Q16853 1/20 0.59
IDO1 P14902 2/20 0.56
AGXT P21549 2/20 0.56
CMA1 P23946 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56
MTNR1A P48039 1/20 0.55
MTNR1B P49286 1/20 0.55
DAO P14920 1/20 0.54

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
SCHEMBL10607028 0.89 CHRM2 (0.63) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL723511 0.87 TAAR1 (0.77) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL30080050 0.87 TAAR1 (0.77) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL10608601 0.85 HDAC1 (0.62) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL7336705 0.84 TAAR1 (0.67) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL21002162 0.83 TAAR1 (0.71) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL21002016 0.83 TAAR1 (0.71) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL96381 0.83 TAAR1 (0.60) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL29986862 0.83 TAAR1 (0.71) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL156300 0.82 TAAR1 (0.69) TAAR1CHRM2CHRM1CHRM3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107522656-A One kind 3(4 methoxyphenyls)The synthetic method of the bromoquinoline of 6 methoxyl group, 4 chlorine 5,7 2 南京大学 2017-12-29 CN claimed
CN-107459481-A One kind 3(4 methoxyphenyls)The synthetic method of the bromoquinoline of 6 methoxyl group, 4 chlorine 5,7 2 广州大学 2017-12-12 CN claimed
CN-107417611-A One kind 3(4 methoxyphenyls)The synthetic method of the bromoquinoline of 6 methoxyl group, 4 chlorine 5,7 2 广州大学 2017-12-01 CN claimed
US-8497397-B2 Substituted acrylamide derivative and pharmaceutical composition comprising the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-30 US claimed
EP-1880720-B1 SUBSTITUTED ACRYLAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAIICHI SANKYO CO LTD (JP) 2013-02-13 EP claimed
US-20120220593-A1 Substituted Acrylamide Derivative and Pharmaceutical Composition Comprising the Same DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-08-30 US claimed
US-20090118199-A1 SUBSTITUTED ACRYLAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAIICHI SANKYO COMPANY , LIMITED (JP) 2009-05-07 US claimed
EP-1880720-A1 SUBSTITUTED ACRYLAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Daiichi Sankyo Company, Limited (JP) 2008-01-23 EP claimed
CN-107522656-A One kind 3(4 methoxyphenyls)The synthetic method of the bromoquinoline of 6 methoxyl group, 4 chlorine 5,7 2 南京大学 2017-12-29 CN disclosed
CN-107459481-A One kind 3(4 methoxyphenyls)The synthetic method of the bromoquinoline of 6 methoxyl group, 4 chlorine 5,7 2 广州大学 2017-12-12 CN disclosed
CN-107417611-A One kind 3(4 methoxyphenyls)The synthetic method of the bromoquinoline of 6 methoxyl group, 4 chlorine 5,7 2 广州大学 2017-12-01 CN disclosed
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
US-8497397-B2 Substituted acrylamide derivative and pharmaceutical composition comprising the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-30 US disclosed
EP-2612858-A1 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-07-10 EP disclosed
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 WO disclosed
EP-0511879-A1 Pyrazine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-04 EP disclosed
EP-0162208-B1 NOVEL N-SUBSTITUTED 3,4-DIHYDROPYRIMIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS SUNTORY KABUSHIKI KAISHA, also known as SUNTORY LTD. (JP) 1989-11-23 EP disclosed
US-4683234-A HYPOTENSIVE AGENTS, ANTI-ANGINA SUNTORY LIMITED (JP) 1987-07-28 US disclosed
EP-0162208-A2 Novel N-substituted 3,4-dihydropyrimidine derivatives, processes for preparing them and pharmaceutical compositions SUNTORY KABUSHIKI KAISHA, also known as SUNTORY LTD. (JP) 1985-11-27 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 (2 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-20090118199-A1 SUBSTITUTED ACRYLAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME ACR, NAT1, C1S TAAR1 260/4885CHRM2 195/4885CHRM1 152/4885
US-20120220593-A1 Substituted Acrylamide Derivative and Pharmaceutical Composition Comprising the Same ACR, NAT1, C1S TAAR1 260/4885CHRM2 195/4885CHRM1 152/4885

“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.