SCHEMBL764479

SCHEMBL764479

CCCCC(=O)NC1(C(=O)NCc2ccc(Oc3ccc(OC)cc3C(F)(F)F)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.41
EPHX2 P34913 4/20 0.41
CNR2 P34972 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.39
PTPN7 P35236 2/20 0.39
DUSP3 P51452 2/20 0.39

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
SCHEMBL13165644 0.94 ALDH1A1 (0.40) CNR1EPHX2CNR2MTNR1AMTNR1B
SCHEMBL13166054 0.91 CNR1 (0.37) CNR1EPHX2CNR2MTNR1AMTNR1B
SCHEMBL10121227 0.91 EPHX2 (0.44) EPHX2L3MBTL1PTPN7DUSP3
SCHEMBL764430 0.91 SIRT1 (0.39) EPHX2L3MBTL1PTPN7DUSP3
SCHEMBL764439 0.90 L3MBTL1 (0.40) EPHX2L3MBTL1PTPN7DUSP3
SCHEMBL764478 0.90 PPARA (0.41) EPHX2L3MBTL1PTPN7DUSP3
SCHEMBL765547 0.90 L3MBTL1 (0.40) EPHX2L3MBTL1PTPN7DUSP3
SCHEMBL765833 0.90 L3MBTL1 (0.40) EPHX2L3MBTL1PTPN7DUSP3
SCHEMBL10121383 0.90 SIRT1 (0.42) CNR1EPHX2L3MBTL1PTPN7DUSP3
SCHEMBL765102 0.89 L3MBTL1 (0.39) EPHX2L3MBTL1PTPN7DUSP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916589-B2 Bradykinin B1-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-23 US disclosed
US-8916589-B2 Bradykinin B1-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-23 US disclosed
EP-2188254-B1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-03-21 EP disclosed
US-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
US-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
WO-2009027450-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-05 WO 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 (1 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-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BDKRB1, BDKRB2, EDNRB CNR1 72/4885EPHX2 872/4885CNR2 167/4885

“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.