SCHEMBL764470

SCHEMBL764470

COc1ccc(Oc2ccc(CNC(=O)C3(NC(=O)c4cn(C)c5ccccc45)CC3)cc2)c(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
BDKRB1 P46663 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RAB9A P51151 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
TP53 P04637 2/20 0.39
EPHX2 P34913 1/20 0.39
PTPN7 P35236 2/20 0.38
DUSP3 P51452 2/20 0.38
PDE10A Q9Y233 1/20 0.38
RXFP1 Q9HBX9 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
SCHEMBL12238931 0.84 EPHX2 (0.53) BDKRB1RAB9AEPHX2PTPN7DUSP3
SCHEMBL12238936 0.83 P2RX7 (0.40) POLBMAPTBDKRB1EPHX2PTPN7
SCHEMBL12238932 0.81 L3MBTL1 (0.43) POLBBDKRB1ALDH1A1EPHX2PTPN7
SCHEMBL12238934 0.81 GRM2 (0.43) POLBBDKRB1ALDH1A1TP53EPHX2
SCHEMBL765828 0.81 BDKRB1 (0.42) POLBMAPTBDKRB1EPHX2PTPN7
SCHEMBL756608 0.81 LMNA (0.47) POLBBDKRB1LMNAKMT2A
SCHEMBL12238933 0.81 P2RX7 (0.44) POLBMAPTBDKRB1ALDH1A1MEN1
SCHEMBL765666 0.81 BDKRB1 (0.43) POLBBDKRB1ALDH1A1EPHX2PTPN7
SCHEMBL765608 0.80 BDKRB1 (0.43) POLBBDKRB1ALDH1A1EPHX2PTPN7
SCHEMBL764477 0.80 L3MBTL1 (0.41) POLBBDKRB1ALDH1A1TP53EPHX2

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 POLB 3215/4885MAPT 3258/4885BDKRB1 1/4885

“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.