SCHEMBL765183

SCHEMBL765183

COc1ccc(Oc2ccc(CNC(=O)C3(NC(=O)c4cccc(Cl)n4)CC3)cc2)c(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
CNR2 P34972 1/20 0.38
P2RX7 Q99572 1/20 0.38
EPHX2 P34913 3/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL764436 0.91 BDKRB1 (0.41) BDKRB1P2RX7EPHX2POLBALDH1A1
SCHEMBL10121241 0.91 BDKRB1 (0.41) BDKRB1P2RX7EPHX2POLBALDH1A1
SCHEMBL764453 0.91 BDKRB1 (0.41) BDKRB1P2RX7EPHX2POLBALDH1A1
SCHEMBL13191650 0.90 MRGPRX4 (0.40) BDKRB1MRGPRX4CNR2P2RX7EPHX2
SCHEMBL12238933 0.89 P2RX7 (0.44) BDKRB1P2RX7EPHX2POLBALDH1A1
SCHEMBL765545 0.85 DDR2 (0.44) BDKRB1P2RX7EPHX2RAB9AMEN1
SCHEMBL12238931 0.84 EPHX2 (0.53) BDKRB1EPHX2NPC1RAB9A
SCHEMBL764481 0.84 BDKRB1 (0.42) BDKRB1P2RX7EPHX2ALDH1A1SMN1; SMN2
SCHEMBL764433 0.84 BDKRB1 (0.38) BDKRB1
SCHEMBL13165806 0.83 P2RX7 (0.41) BDKRB1P2RX7EPHX2POLBALDH1A1

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 4 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
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
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 1/4885MRGPRX4 34/4885CNR2 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.