SCHEMBL765846

SCHEMBL765846

N#Cc1cc(Br)ccc1Oc1ccc(CNC(=O)C2(NC(=O)c3cncnc3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.49
MAPK14 Q16539 4/20 0.44
CYP3A4 P08684 1/20 0.44
CTSL P07711 4/20 0.40
CTSB P07858 2/20 0.40
CTSS P25774 2/20 0.40
CTSK P43235 2/20 0.37
XDH P47989 1/20 0.35
UCHL1 P09936 1/20 0.35
VNN1 O95497 1/20 0.34
KDM1A O60341 1/20 0.34
HDAC1 Q13547 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL765805 0.90 BDKRB1 (0.49) BDKRB1MAPK14CYP3A4CTSLCTSK
SCHEMBL764449 0.90 BDKRB1 (0.49) BDKRB1MAPK14CYP3A4PTGDR2
SCHEMBL764428 0.90 BDKRB1 (0.51) BDKRB1MAPK14CYP3A4CTSLVNN1
SCHEMBL765656 0.90 BDKRB1 (0.49) BDKRB1MAPK14CYP3A4CTSLCTSK
SCHEMBL764480 0.90 BDKRB1 (0.53) BDKRB1MAPK14CYP3A4VNN1KDM1A
SCHEMBL765845 0.88 MAPK14 (0.58) BDKRB1MAPK14CYP3A4CTSLCTSB
SCHEMBL765145 0.87 BDKRB1 (0.48) BDKRB1MAPK14CYP3A4KDM1AHDAC1
SCHEMBL13904092 0.87 BDKRB1 (0.51) BDKRB1MAPK14CTSLCTSBCTSS
SCHEMBL2546702 0.87 BDKRB1 (0.51) BDKRB1MAPK14CYP3A4CTSLCTSB
SCHEMBL2549218 0.84 BDKRB1 (0.49) BDKRB1MAPK14CTSLCTSBCTSS

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 3 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

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 1/4885MAPK14 1751/4885CYP3A4 1580/4885

“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.