SCHEMBL12239074

SCHEMBL12239074

Cc1ccc(Oc2ccc(CNC(=O)C3(NC(=O)c4cncnc4)CC3)cc2F)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 7/20 0.49
CNR1 P21554 6/20 0.42
CARM1 Q86X55 2/20 0.38
PRMT6 Q96LA8 2/20 0.38
MET P08581 1/20 0.36
KDM1A O60341 1/20 0.36
HDAC1 Q13547 1/20 0.36
MT-CO2 P00403 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
SCHEMBL765808 0.91 BDKRB1 (0.48) BDKRB1CNR1CARM1PRMT6MET
SCHEMBL764468 0.91 BDKRB1 (0.48) BDKRB1CNR1CARM1PRMT6MET
SCHEMBL10121533 0.89 BDKRB1 (0.53) BDKRB1CNR1
SCHEMBL12239072 0.89 BDKRB1 (0.51) BDKRB1CNR1CARM1PRMT6
SCHEMBL765522 0.88 BDKRB1 (0.50) BDKRB1CNR1CARM1PRMT6MET
Hydrochloric Acid SCHEMBL2546804 0.88 BDKRB1 (0.49) BDKRB1CNR1CARM1PRMT6MET
SCHEMBL12239059 0.87 BDKRB1 (0.53) BDKRB1CNR1KDM1AHDAC1
SCHEMBL12239073 0.86 BDKRB1 (0.47) BDKRB1CNR1
SCHEMBL10121221 0.85 BDKRB1 (0.47) BDKRB1CNR1MET
SCHEMBL10121264 0.85 BDKRB1 (0.49) BDKRB1CNR1

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 2 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-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US 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 72/4885CARM1 3858/4885

“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.