SCHEMBL208741

SCHEMBL208741

Clc1ccc2c(c1)CC[CH]N2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.43
HTR2A P28223 4/20 0.42
HTR2C P28335 4/20 0.42
HTR2B P41595 4/20 0.42
PNMT P11086 1/20 0.40
HTR5A P47898 4/20 0.40
DRD4 P21917 3/20 0.40
HTR3A P46098 3/20 0.40
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
HTR1D P28221 2/20 0.40
HTR7 P34969 2/20 0.40
CMA1 P23946 1/20 0.35
CHEK1 O14757 1/20 0.34
LIMK1 P53667 1/20 0.34
HTT P42858 1/20 0.34
SRD5A1 P18405 3/20 0.34
SCN9A Q15858 1/20 0.34
F7 P08709 2/20 0.33

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
SCHEMBL208849 0.84 AHR (0.43) AHRHTR2AHTR2CHTR2BPNMT
SCHEMBL5844909 0.80 DRD2 (0.55) DRD4DRD2
SCHEMBL2503441 0.76 HTR5A (0.39) HTR5AADRA2APARP1PARP10
SCHEMBL207096 0.72 TYMS (0.31)
SCHEMBL154428 0.71 DRD4 (0.64) AHRHTR2AHTR2CHTR2BPNMT
SCHEMBL20477944 0.70 NPC1 (0.43) AHRHTR2CPNMTHTR5A
Bromide SCHEMBL949153 0.69 DRD4 (0.62) AHRHTR2AHTR2CHTR2BPNMT
SCHEMBL6820086 0.67 AHR (0.50) AHRHTR2AHTR2CHTR2BPNMT
SCHEMBL1764573 0.67 AHR (0.70) AHRCMA1HTTSRD5A1
SCHEMBL208828 0.67 AHR (0.42) AHRHTR2AHTR2CHTR2BPNMT

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 AHR 2813/4885HTR2A 3729/4885HTR2C 1686/4885
US-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S AHR 3114/4885HTR2A 2816/4885HTR2C 2449/4885
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 AHR 3301/4885HTR2A 3838/4885HTR2C 3960/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R AHR 3277/4885HTR2A 2707/4885HTR2C 2667/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R AHR 3277/4885HTR2A 2707/4885HTR2C 2667/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R AHR 3277/4885HTR2A 2707/4885HTR2C 2667/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 AHR 3066/4885HTR2A 3127/4885HTR2C 3937/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R AHR 2824/4885HTR2A 2734/4885HTR2C 2598/4885

“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.