SCHEMBL1503816

SCHEMBL1503816

O=C(O)N1CCc2nc(/C=C/c3ccccc3)oc2C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.41
GRM5 P41594 11/20 0.39
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 2/20 0.38
GLA P06280 2/20 0.38
KMT2A Q03164 3/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
CYP2C9 P11712 1/20 0.37
GAA P10253 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
SCHEMBL1503817 1.00 ELANE (0.41) ELANEGRM5RAB9AKDM4EGLA
SCHEMBL157685 0.85 GAA (0.47) GRM5RAB9AKDM4EKMT2AMAPT
SCHEMBL157684 0.85 GAA (0.47) GRM5RAB9AKDM4EKMT2AMAPT
SCHEMBL742204 0.84 MAPT (0.43) GRM5KDM4EKMT2AMAPTMEN1
SCHEMBL742205 0.84 MAPT (0.43) GRM5KDM4EKMT2AMAPTMEN1
SCHEMBL158838 0.84 GRM5 (0.58) GRM5RAB9AKDM4EKMT2AMEN1
SCHEMBL158839 0.84 GRM5 (0.58) GRM5RAB9AKDM4EKMT2AMEN1
SCHEMBL158914 0.81 GRM5 (0.36) GRM5CYP2C9
SCHEMBL15293375 0.78 GRM5 (0.49) GRM5RAB9AKDM4EKMT2AMAPT
SCHEMBL159100 0.78 GRM5 (0.49) GRM5RAB9AKDM4EKMT2AMEN1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1405852-B9 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-03-27 EP disclosed
EP-1405852-B1 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-08-01 EP 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-20100093785-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-15 US disclosed
US-20090270446-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-10-29 US disclosed
US-7365205-B2 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 SANKYO COMPANY, LIMITED (JP) 2008-04-29 US disclosed
US-7342014-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-11 US disclosed
US-20080015215-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-17 US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US 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 (9 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 ELANE 96/4885GRM5 2706/4885RAB9A 3871/4885
US-20090270446-A1 DIAMINE DERIVATIVES F2, TFPI, F3 ELANE 183/4885GRM5 1573/4885RAB9A 2734/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R ELANE 503/4885GRM5 2219/4885RAB9A 3294/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R ELANE 503/4885GRM5 2219/4885RAB9A 3294/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R ELANE 503/4885GRM5 2219/4885RAB9A 3294/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R ELANE 436/4885GRM5 1808/4885RAB9A 3393/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R ELANE 503/4885GRM5 2219/4885RAB9A 3294/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 ELANE 183/4885GRM5 1573/4885RAB9A 2734/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R ELANE 474/4885GRM5 2242/4885RAB9A 3496/4885

“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.