SCHEMBL765643

SCHEMBL765643

COc1ccc(Oc2ccc(CNC(=O)C3(NC(=O)c4ccnnc4)CC3)cc2)c(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.45
EPHX2 P34913 8/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
P2RX7 Q99572 1/20 0.39
MAPT P10636 2/20 0.38
F10 P00742 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PPARG P37231 3/20 0.37
ALDH1A1 P00352 1/20 0.37
CNR1 P21554 1/20 0.37
POLB P06746 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
SCHEMBL765844 0.92 BDKRB1 (0.42) BDKRB1MAPTF10CNR1
SCHEMBL13191643 0.90 P2RX7 (0.39) BDKRB1EPHX2P2RX7MAPTF10
SCHEMBL10121524 0.89 BDKRB1 (0.44) BDKRB1EPHX2P2RX7F10
SCHEMBL12238926 0.89 BDKRB1 (0.49) BDKRB1EPHX2L3MBTL1P2RX7KDM4E
SCHEMBL764412 0.88 BDKRB1 (0.53) BDKRB1EPHX2L3MBTL1P2RX7F10
SCHEMBL756525 0.88 BDKRB1 (0.42) BDKRB1EPHX2L3MBTL1P2RX7F10
SCHEMBL765198 0.88 BDKRB1 (0.42) BDKRB1EPHX2L3MBTL1P2RX7F10
SCHEMBL764460 0.88 BDKRB1 (0.44) BDKRB1EPHX2P2RX7MAPTPPARG
SCHEMBL757814 0.88 BDKRB1 (0.42) BDKRB1EPHX2P2RX7MAPTF10
SCHEMBL10121348 0.88 BDKRB1 (0.44) BDKRB1EPHX2P2RX7F10PPARG

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 872/4885L3MBTL1 2516/4885

“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.