SCHEMBL206491

SCHEMBL206491

O=c1c[c]oc2ccc(Br)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 11/20 0.45
GABRD O14764 11/20 0.45
GABRA1 P14867 11/20 0.45
GABRB1 P18505 11/20 0.45
GABRG2 P18507 11/20 0.45
GABRB3 P28472 11/20 0.45
GABRA5 P31644 11/20 0.45
GABRA3 P34903 11/20 0.45
GABRA2 P47869 11/20 0.45
GABRB2 P47870 11/20 0.45
GABRA4 P48169 11/20 0.45
GABRE P78334 11/20 0.45
GABRA6 Q16445 11/20 0.45
GABRG1 Q8N1C3 11/20 0.45
GABRG3 Q99928 11/20 0.45
GABRQ Q9UN88 11/20 0.45
PIM1 P11309 3/20 0.42
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL208305 0.85 TNKS (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL206945 0.78 ADCY1 (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL207573 0.78 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL146387 0.72 CYP2A6 (0.40) PIM1MAPTCA12CA9
SCHEMBL2873532 0.69
SCHEMBL321544 0.69 MAOA (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL207471 0.68 CYP2A6 (0.38) PIM1MAPTDYRK1A
Ammonia Solution, Strong SCHEMBL6962476 0.67
SCHEMBL208255 0.67 DAO (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7800229 0.67 GABRP (0.57) GABRPGABRDGABRA1GABRB1GABRG2

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 GABRP 2565/4885GABRD 3731/4885GABRA1 2891/4885
US-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S GABRP 3231/4885GABRD 1519/4885GABRA1 2126/4885
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 GABRP 1793/4885GABRD 284/4885GABRA1 1201/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R GABRP 2862/4885GABRD 593/4885GABRA1 1632/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R GABRP 2862/4885GABRD 593/4885GABRA1 1632/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R GABRP 2862/4885GABRD 593/4885GABRA1 1632/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 GABRP 2554/4885GABRD 1787/4885GABRA1 2320/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R GABRP 3087/4885GABRD 671/4885GABRA1 1877/4885

“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.