SCHEMBL206261

SCHEMBL206261

Brc1ccc2c(c1)C=[C]CO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 1/20 0.40
BLM P54132 1/20 0.40
AHR P35869 3/20 0.39
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
ALOX5 P09917 1/20 0.35
TP53 P04637 2/20 0.32
HTR2C P28335 1/20 0.31
MAOB P27338 3/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
APP P05067 1/20 0.30
CYP19A1 P11511 1/20 0.30
TRPA1 O75762 1/20 0.30
PBRM1 Q86U86 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL209553 0.85 LMNA (0.40) MAPTLMNAHTTBLMAHR
SCHEMBL208268 0.77 HTR2C (0.34) HTR2CCYP19A1
SCHEMBL209136 0.77 AHR (0.39) MAPTLMNAHTTAHRCA12
SCHEMBL314910 0.73 MTNR1A (0.41) MAPTHTTCA12CA2CA9
SCHEMBL11872738 0.69 MAPT (0.44) MAPTLMNAHTTBLMAHR
SCHEMBL1848748 0.67 AHR (0.45) MAPTLMNAHTTBLMAHR
SCHEMBL8176759 0.67 BLM (0.50) MAPTLMNAHTTBLMAHR
SCHEMBL2350606 0.67 MAPT (0.50) MAPTLMNAHTTBLMAHR
SCHEMBL7790742 0.65 TRPA1 (0.40) AHRHTR2CTRPA1
SCHEMBL207730 0.65 AHR (0.39) MAPTAHRCA12CA9HTR2C

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 MAPT 3409/4885LMNA 2576/4885HTT 2744/4885
US-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S MAPT 4390/4885LMNA 1968/4885HTT 2458/4885
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 MAPT 4451/4885LMNA 2788/4885HTT 3634/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R MAPT 4271/4885LMNA 2624/4885HTT 2635/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R MAPT 4271/4885LMNA 2624/4885HTT 2635/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R MAPT 4271/4885LMNA 2624/4885HTT 2635/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 MAPT 4302/4885LMNA 2682/4885HTT 4092/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R MAPT 4230/4885LMNA 2829/4885HTT 2126/4885

“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.