SCHEMBL764412

SCHEMBL764412

COc1ccc(Oc2ccc(CNC(=O)C3(NC(=O)c4cncnc4)CC3)cc2)c(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.53
EPHX2 P34913 9/20 0.41
HPGDS O60760 1/20 0.40
F10 P00742 1/20 0.39
P2RX7 Q99572 1/20 0.38
PPARG P37231 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTPN7 P35236 1/20 0.38
DUSP3 P51452 1/20 0.38
POLB P06746 1/20 0.38
KDM1A O60341 1/20 0.37
HDAC1 Q13547 1/20 0.37

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
SCHEMBL13165659 0.95 BDKRB1 (0.48) BDKRB1EPHX2HPGDSP2RX7PPARG
SCHEMBL13165997 0.95 BDKRB1 (0.48) BDKRB1EPHX2HPGDSP2RX7PPARG
SCHEMBL10121503 0.95 BDKRB1 (0.51) BDKRB1EPHX2HPGDSF10PTPN7
SCHEMBL13165649 0.94 BDKRB1 (0.47) BDKRB1EPHX2HPGDSF10P2RX7
SCHEMBL13165740 0.94 BDKRB1 (0.47) BDKRB1EPHX2HPGDSP2RX7PPARG
SCHEMBL13165727 0.94 BDKRB1 (0.47) BDKRB1EPHX2HPGDSP2RX7PPARG
SCHEMBL13165610 0.94 BDKRB1 (0.47) BDKRB1EPHX2HPGDSF10P2RX7
SCHEMBL2790340 0.93 BDKRB1 (0.46) BDKRB1EPHX2HPGDSPPARGL3MBTL1
SCHEMBL13165735 0.93 BDKRB1 (0.46) BDKRB1EPHX2HPGDSP2RX7PPARG
SCHEMBL13165603 0.93 BDKRB1 (0.45) BDKRB1EPHX2HPGDSPPARGL3MBTL1

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 8 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
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
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 872/4885HPGDS 1136/4885

“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.