SCHEMBL765666

SCHEMBL765666

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.43
CNR1 P21554 1/20 0.43
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC4 P56524 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
PTPN7 P35236 2/20 0.41
DUSP3 P51452 2/20 0.41
EPHX2 P34913 5/20 0.41
P2RX7 Q99572 1/20 0.40
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL12238932 0.91 L3MBTL1 (0.43) BDKRB1L3MBTL1PTPN7DUSP3EPHX2
SCHEMBL764477 0.89 L3MBTL1 (0.41) BDKRB1HDAC3HDAC1HDAC4HDAC6
SCHEMBL10121227 0.89 EPHX2 (0.44) L3MBTL1PTPN7DUSP3EPHX2P2RX7
SCHEMBL758301 0.89 EPHX2 (0.41) L3MBTL1PTPN7DUSP3EPHX2P2RX7
SCHEMBL765182 0.89 L3MBTL1 (0.41) BDKRB1HDAC3HDAC1HDAC4HDAC6
SCHEMBL10121393 0.89 L3MBTL1 (0.41) BDKRB1HDAC3HDAC1HDAC4HDAC6
SCHEMBL12238928 0.89 L3MBTL1 (0.41) BDKRB1HDAC3HDAC1HDAC4HDAC6
SCHEMBL10121390 0.88 ALDH1A1 (0.43) BDKRB1CNR1HDAC3HDAC1HDAC4
SCHEMBL765638 0.88 EPHX2 (0.48) L3MBTL1PTPN7DUSP3EPHX2P2RX7
SCHEMBL10121349 0.88 L3MBTL1 (0.40) BDKRB1L3MBTL1PTPN7DUSP3EPHX2

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 1/4885CNR1 72/4885HDAC3 2875/4885

“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.