SCHEMBL764475

SCHEMBL764475

COc1ccc(Oc2ccc(CNC(=O)C3(NC(=O)c4nccs4)CC3)cc2)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.40
BDKRB1 P46663 1/20 0.39
SCD O00767 1/20 0.39
EPHX2 P34913 3/20 0.38
POLB P06746 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
SCN3A Q9NY46 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
SCHEMBL764440 0.89 SCD (0.37) BDKRB1SCDSCN3A
SCHEMBL764456 0.88 SCD (0.45) BDKRB1SCDPOLBALDH1A1HPGD
SCHEMBL765545 0.86 DDR2 (0.44) P2RX7BDKRB1EPHX2MEN1KMT2A
SCHEMBL10121389 0.84 BDKRB1 (0.43) P2RX7BDKRB1EPHX2POLBALDH1A1
SCHEMBL12238933 0.84 P2RX7 (0.44) P2RX7BDKRB1EPHX2POLBALDH1A1
SCHEMBL12238935 0.84 MEN1 (0.46) P2RX7BDKRB1EPHX2POLBMEN1
SCHEMBL12238936 0.84 P2RX7 (0.40) P2RX7BDKRB1EPHX2POLBL3MBTL1
SCHEMBL757814 0.84 BDKRB1 (0.42) P2RX7BDKRB1EPHX2POLBHDAC1
SCHEMBL765198 0.84 BDKRB1 (0.42) P2RX7BDKRB1EPHX2POLBALDH1A1
SCHEMBL10121524 0.84 BDKRB1 (0.44) P2RX7BDKRB1EPHX2HDAC1HDAC6

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 P2RX7 199/4885BDKRB1 1/4885SCD 4819/4885

“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.