SCHEMBL764481

SCHEMBL764481

COc1ccc(Oc2ccc(CNC(=O)C3(NC(=O)c4ccnc(Cl)c4)CC3)cc2)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.42
P2RX7 Q99572 1/20 0.40
EPHX2 P34913 6/20 0.39
KDM1A O60341 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
PDGFRB P09619 2/20 0.38
CSF1R P07333 1/20 0.38
RET P07949 1/20 0.38
KIT P10721 1/20 0.38
PDGFRA P16234 1/20 0.38
DDR1 Q08345 1/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 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
SCHEMBL765198 0.91 BDKRB1 (0.42) BDKRB1P2RX7EPHX2KDM1AHDAC1
SCHEMBL765544 0.91 BDKRB1 (0.42) BDKRB1P2RX7EPHX2KDM1AHDAC1
SCHEMBL10121524 0.91 BDKRB1 (0.44) BDKRB1P2RX7EPHX2KDM1AHDAC1
SCHEMBL756525 0.91 BDKRB1 (0.42) BDKRB1P2RX7EPHX2KDM1AHDAC1
SCHEMBL757814 0.91 BDKRB1 (0.42) BDKRB1P2RX7EPHX2KDM1AHDAC1
SCHEMBL13191616 0.91 P2RX7 (0.38) BDKRB1P2RX7EPHX2ROCK2ROCK1
SCHEMBL765643 0.87 BDKRB1 (0.45) BDKRB1P2RX7EPHX2ALDH1A1F10
SCHEMBL765545 0.87 DDR2 (0.44) BDKRB1P2RX7EPHX2PDGFRBCSF1R
SCHEMBL12238931 0.86 EPHX2 (0.53) BDKRB1EPHX2
SCHEMBL764435 0.85 BDKRB1 (0.45) BDKRB1P2RX7EPHX2

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 1/4885P2RX7 199/4885EPHX2 872/4885

“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.