SCHEMBL206945

SCHEMBL206945

O=c1c[c]oc2ccc(Cl)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADCY1 Q08828 1/20 0.47
ALDH1A1 P00352 4/20 0.46
TNKS O95271 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
GABRP O00591 7/20 0.44
GABRD O14764 7/20 0.44
GABRA1 P14867 7/20 0.44
GABRB1 P18505 7/20 0.44
GABRG2 P18507 7/20 0.44
GABRB3 P28472 7/20 0.44
GABRA5 P31644 7/20 0.44
GABRA3 P34903 7/20 0.44
GABRA2 P47869 7/20 0.44
GABRB2 P47870 7/20 0.44
GABRA4 P48169 7/20 0.44
GABRE P78334 7/20 0.44
GABRA6 Q16445 7/20 0.44
GABRG1 Q8N1C3 7/20 0.44
GABRG3 Q99928 7/20 0.44
GABRQ Q9UN88 7/20 0.44

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
SCHEMBL208255 0.85 DAO (0.44) ADCY1ALDH1A1TNKSADORA3GABRP
SCHEMBL206491 0.78 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL316967 0.78 MAPT (0.46) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL207573 0.78 GABRP (0.47) TNKSGABRPGABRDGABRA1GABRB1
SCHEMBL207427 0.72 MAOA (0.47) ALDH1A1TNKSADORA3GABRPGABRD
SCHEMBL207632 0.72 MAOB (0.41) ALDH1A1KDM4ELMNAMAOBAHR
SCHEMBL365385 0.71 MAOA (0.58) ADCY1ALDH1A1TNKSADORA3GABRP
SCHEMBL2873532 0.69
SCHEMBL207736 0.68 CYP2A6 (0.38) KDM4ELMNAMAOBAHRTP53
Ethane SCHEMBL27840767 0.68 MAOA (0.55) ADCY1ALDH1A1TNKSADORA3GABRP

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-1925611-B1 OPTICALLY ACTIVE DIAMINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME DAIICHI SANKYO CO LTD (JP) 2016-04-13 EP disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
US-8088796-B2 Triamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
US-8058440-B2 Process for producing 5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxylic acid DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-11-15 US disclosed
EP-2343290-A1 Diamine derivatives as factor X inhibitors Daiichi Sankyo Company, Limited (JP) 2011-07-13 EP disclosed
US-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 US disclosed
US-20110054177-A1 PROCESS FOR PRODUCING 5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-c]PYRIDINE-2-CARBOXYLIC ACID DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-03-03 US disclosed
US-7880005-B2 reacting 5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine with an alkali metal nitrite in the presence of a reducing agent in an aqueous solution of an acidic compound; hydrolysis; industrial scale DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-02-01 US disclosed
EP-2266992-A2 Process for producing thiazole derivative Daiichi Sankyo Company, Limited (JP) 2010-12-29 EP disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
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 disclosed
EP-1683800-A1 PROCESS FOR PRODUCING THIAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-07-26 EP disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 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 (8 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-20110054177-A1 PROCESS FOR PRODUCING 5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-c]PYRIDINE-2-CARBOXYLIC ACID PAH, CA4, TET2 ADCY1 766/4885ALDH1A1 1068/4885TNKS 1385/4885
US-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S ADCY1 4339/4885ALDH1A1 4310/4885TNKS 4277/4885
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 ADCY1 2725/4885ALDH1A1 3430/4885TNKS 3831/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R ADCY1 3492/4885ALDH1A1 3319/4885TNKS 3235/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R ADCY1 3492/4885ALDH1A1 3319/4885TNKS 3235/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R ADCY1 3492/4885ALDH1A1 3319/4885TNKS 3235/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 ADCY1 1460/4885ALDH1A1 793/4885TNKS 1508/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R ADCY1 3770/4885ALDH1A1 3734/4885TNKS 3241/4885

“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.