SCHEMBL765828

SCHEMBL765828

COc1ccc(Oc2ccc(CNC(=O)C3(NC(=O)c4ccc[nH]c4=O)CC3)cc2)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.42
EPHX2 P34913 6/20 0.38
PTPN7 P35236 2/20 0.37
DUSP3 P51452 2/20 0.37
SCN8A Q9UQD0 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
P2RX7 Q99572 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL764454 0.93 BDKRB1 (0.39) BDKRB1EPHX2SCN8ASCN10AL3MBTL1
SCHEMBL12238931 0.84 EPHX2 (0.53) BDKRB1EPHX2PTPN7DUSP3GAA
SCHEMBL756608 0.84 LMNA (0.47) BDKRB1P2RX7POLB
SCHEMBL12238932 0.83 L3MBTL1 (0.43) BDKRB1EPHX2PTPN7DUSP3P2RX7
SCHEMBL765666 0.82 BDKRB1 (0.43) BDKRB1EPHX2PTPN7DUSP3P2RX7
SCHEMBL765659 0.81 BDKRB1 (0.42) BDKRB1EPHX2PTPN7DUSP3P2RX7
SCHEMBL764477 0.81 L3MBTL1 (0.41) BDKRB1EPHX2PTPN7DUSP3P2RX7
SCHEMBL10121227 0.81 EPHX2 (0.44) EPHX2PTPN7DUSP3P2RX7L3MBTL1
SCHEMBL764470 0.81 POLB (0.42) BDKRB1EPHX2PTPN7DUSP3MAPT
SCHEMBL765816 0.81 BDKRB1 (0.40) BDKRB1EPHX2PTPN7DUSP3SCN10A

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 BDKRB1 1/4885EPHX2 872/4885PTPN7 4300/4885

“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.