SCHEMBL785158

SCHEMBL785158

O=C(O)NCC1CCN(c2ccncc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.53
ITGB3 P05106 2/20 0.48
ITGA2B P08514 2/20 0.48

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
SCHEMBL1675734 0.87 F10 (0.54) F10
SCHEMBL4071616 0.86 ADRA1D (0.51)
SCHEMBL4718806 0.86 BDKRB1 (0.52) ITGB3ITGA2B
SCHEMBL786220 0.83 PPARA (0.43) F10ITGB3ITGA2B
SCHEMBL18865857 0.83 HRH3 (0.52)
SCHEMBL7091228 0.83 F10 (0.54) F10
SCHEMBL3123610 0.82 GFER (0.45) F10
SCHEMBL27197486 0.82 CHIT1 (0.47) F10
SCHEMBL5868061 0.81 CYP2D6 (0.50) F10ITGB3ITGA2B
SCHEMBL7086594 0.81 KDM4E (0.65) F10

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451185-B1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2014-08-06 EP disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
EP-2619178-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2013-07-31 EP disclosed
US-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 US disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
EP-2393803-A1 SUBSTITUTED INDOLE COMPOUNDS AS BRADYKININ RECEPTOR 1 MODULATORS Grünenthal GmbH (DE) 2011-12-14 EP disclosed
US-7910606-B2 Pyrazole-derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-03-22 US disclosed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 US disclosed
WO-2010089084-A1 SUBSTITUTED INDOLE COMPOUNDS AS BRADYKININ RECEPTOR 1 MODULATORS Grünenthal GmbH (DE) 2010-08-12 WO disclosed
EP-1451185-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2004-09-01 EP disclosed
WO-2004056815-A1 PYRAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-08 WO disclosed
EP-1433788-A1 Pyrazole-derivatives as factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2004-06-30 EP disclosed
US-20030199689-A1 New indole derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-10-23 US disclosed
EP-1349847-A1 OXYBENZAMIDES DERIVATIVES AS FACTOR XA INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2003-10-08 EP disclosed
WO-2003044014-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-30 WO disclosed
EP-1314733-A1 Indole-2-carboxamides as factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2003-05-28 EP disclosed
US-20020198195-A1 New oxybenzamide derivatives useful for inhibiting factor Xa or VIIa SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2002-12-26 US disclosed
WO-2002051831-A1 OXYBENZAMIDES DERIVATIVES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-07-04 WO disclosed
EP-1217000-A1 Inhibitors of factor Xa and factor VIIa Aventis Pharma Deutschland GmbH (DE) 2002-06-26 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 (4 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-20100222324-A1 Substituted Indole Compounds BDKRB1, BDKRB2, EDNRB F10 184/4885ITGB3 4466/4885ITGA2B 3931/4885
US-20020198195-A1 New oxybenzamide derivatives useful for inhibiting factor Xa or VIIa F9, F11, F5 F10 8/4885ITGB3 1588/4885ITGA2B 94/4885
US-20030199689-A1 New indole derivatives as factor Xa inhibitors F5, F12, F2 F10 9/4885ITGB3 2232/4885ITGA2B 1309/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 F10 524/4885ITGB3 2555/4885ITGA2B 1864/4885

“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.