SCHEMBL207751

SCHEMBL207751

Cc1cc(N2CC[N]CC2)ncn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.41
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 2/20 0.40
HRH4 Q9H3N8 3/20 0.38
TSHR P16473 2/20 0.37
CYP2C9 P11712 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RECQL P46063 1/20 0.37
RAB9A P51151 1/20 0.37
CD274 Q9NZQ7 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
KMO O15229 1/20 0.36

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
SCHEMBL11981553 0.84 SMN1; SMN2 (0.50) ALDH1A1HSD17B10KDM4EHPGDCYP2C19
SCHEMBL15114915 0.84 SMN1; SMN2 (0.46) CYP1A2ALDH1A1CYP2C19HRH4TSHR
SCHEMBL28217397 0.82 SMN1; SMN2 (0.53) CYP1A2ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL12497703 0.81 HRH4 (0.57) CYP1A2ALDH1A1HSD17B10KDM4EGLA
SCHEMBL14538234 0.79 CYP1A2 (0.57) CYP1A2ALDH1A1CYP2C19HRH4HRH3
SCHEMBL10272311 0.79 CYP2C19 (0.63) CYP1A2ALDH1A1MAPTCYP2C19HRH4
SCHEMBL2272151 0.78 CYP17A1 (0.39) CYP1A2ALDH1A1HSD17B10KDM4EGLA
SCHEMBL15114895 0.78 LMNA (0.49) ALDH1A1KDM4EMAPTHPGDHRH4
SCHEMBL5122657 0.77 OGA (0.43) CYP1A2ALDH1A1HSD17B10KDM4EGLA
SCHEMBL2270340 0.77 CHEK1 (0.48) CYP1A2HRH4TSHRHRH3KMT2A

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 26 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
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
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-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
US-20100093785-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-15 US disclosed
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM DAIICHI PHARMACEUTICAL CO., LTD (JP) 2009-11-12 US disclosed
US-20090270446-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-10-29 US disclosed
US-20090239857-A1 TRIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-24 US disclosed
EP-1864982-A1 TRIAMINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 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
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 (12 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 3302/4885ALDH1A1 4310/4885HSD17B10 1782/4885
US-20090270446-A1 DIAMINE DERIVATIVES F2, TFPI, F3 CYP1A2 2267/4885ALDH1A1 793/4885HSD17B10 3742/4885
US-20090239857-A1 TRIAMINE DERIVATIVE F2, F12, F3 CYP1A2 95/4885ALDH1A1 1780/4885HSD17B10 796/4885
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL CYP1A2 1707/4885ALDH1A1 3214/4885HSD17B10 1402/4885
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 3257/4885ALDH1A1 3430/4885HSD17B10 1663/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R CYP1A2 2631/4885ALDH1A1 3319/4885HSD17B10 1377/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R CYP1A2 2631/4885ALDH1A1 3319/4885HSD17B10 1377/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R CYP1A2 2520/4885ALDH1A1 3529/4885HSD17B10 1212/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 CYP1A2 1627/4885ALDH1A1 3454/4885HSD17B10 2310/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R CYP1A2 2631/4885ALDH1A1 3319/4885HSD17B10 1377/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 CYP1A2 2267/4885ALDH1A1 793/4885HSD17B10 3742/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R CYP1A2 2535/4885ALDH1A1 3734/4885HSD17B10 1326/4885

“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.