SCHEMBL207188

SCHEMBL207188

Cc1ccc2c[c][nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.46
CYP2A6 P11509 4/20 0.46
RXFP1 Q9HBX9 2/20 0.42
MAPT P10636 1/20 0.42
DAO P14920 1/20 0.40
DDO Q99489 1/20 0.40
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
KIF11 P52732 1/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 2/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ITK Q08881 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
SCHEMBL208359 0.84 CYP1A2 (0.48) CYP1A2CYP2A6RXFP1MAPTDAO
SCHEMBL9739099 0.77 MAPT (0.34) CYP1A2CYP2A6RXFP1MAPTKMT2A
SCHEMBL9740024 0.73 KDM4E (0.44) MAPTTDP1KMT2AALDH1A1HPGD
SCHEMBL207534 0.73 AHR (0.48) CYP1A2CYP2A6MAPTKMT2AALDH1A1
SCHEMBL207104 0.73 AHR (0.48) CYP1A2CYP2A6DAODDOTDP1
SCHEMBL6959510 0.73 TYR (0.48) CYP1A2CA12CA9TDP1KMT2A
SCHEMBL20481932 0.73 MEN1 (0.45) CYP2A6RXFP1MAPTTDP1KMT2A
SCHEMBL206726 0.72 CYP1A1 (0.35)
SCHEMBL4276796 0.72 IMPDH2 (0.44) CYP2A6KMT2AALDH1A1ITK
SCHEMBL6959490 0.72 APP (0.45) MAPTTDP1ALDH1A1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111533767-A Tetradentate phosphine ligand and preparation method thereof, hydroformylation catalyst and reaction method, and preparation method of 1, 3-propylene glycol 卢海元 2020-08-14 CN claimed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP claimed
EP-1270557-B1 ETHYLENEDIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-07-25 EP claimed
US-20090239857-A1 TRIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-24 US claimed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 US claimed
EP-1864982-A1 TRIAMINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP claimed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US claimed
US-7192968-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 US claimed
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-09 US claimed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US claimed
US-20040122063-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-24 US claimed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP claimed
EP-1373199-A4 SPIRO-CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND TNF-ALPHA CONVERTING ENZYME (TAGE) BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-04-07 EP claimed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 EP claimed
EP-1373199-A2 SPIRO-CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND TNF-ALPHA CONVERTING ENZYME (TAGE) Bristol-Myers Squibb Pharma Company (US) 2004-01-02 EP claimed
EP-1270557-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-01-02 EP claimed
EP-1263756-A2 BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA Bristol-Myers Squibb Pharma Company (US) 2002-12-11 EP claimed
WO-2002074738-A2 SPIRO-CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND TNF-ALPHA CONVERTING ENZYME (TAGE) BRISTOL-MYERS SQUIBB COMPANY (US) 2002-09-26 WO claimed
US-6333339-B1 CENTRAL SYSTEM DISORDERS, SCHIZOPHRENIA AND COGNITION ACTIVATORS MERCK PATENT GELLSCHAFT MIT BESCHRANKTER (DE) 2001-12-25 US claimed
WO-2001070734-A2 BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-27 WO claimed

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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S CYP1A2 3302/4885CYP2A6 2627/4885RXFP1 1350/4885
US-20090239857-A1 TRIAMINE DERIVATIVE F2, F12, F3 CYP1A2 95/4885CYP2A6 246/4885RXFP1 310/4885
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X F2, C1S, C9 CYP1A2 3257/4885CYP2A6 3053/4885RXFP1 2352/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R CYP1A2 2631/4885CYP2A6 2751/4885RXFP1 3086/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 CYP1A2 273/4885CYP2A6 1405/4885RXFP1 255/4885

“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.