SCHEMBL13063151

SCHEMBL13063151

COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N(C)Cc2ccc(N3CC[C@@H](N(C)C)C3)cc2Cl)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 20/20 0.49

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
SCHEMBL12010182 1.00 BDKRB1 (0.49) BDKRB1
SCHEMBL10118665 0.93 BDKRB1 (0.51) BDKRB1
SCHEMBL12021322 0.90 BDKRB1 (0.52) BDKRB1
SCHEMBL12010235 0.89 BDKRB1 (0.54) BDKRB1
SCHEMBL12010194 0.89 BDKRB1 (0.54) BDKRB1
SCHEMBL12010197 0.89 BDKRB1 (0.60) BDKRB1
SCHEMBL12010173 0.89 BDKRB1 (0.60) BDKRB1
SCHEMBL12010274 0.85 BDKRB1 (0.38) BDKRB1
SCHEMBL12010191 0.84 BDKRB1 (0.59) BDKRB1
SCHEMBL3439798 0.84 BDKRB1 (0.62) BDKRB1

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-7858618-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-28 US disclosed
US-20090137545-A1 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 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-20090137545-A1 Compounds ADORA2B, ABCB11, CYP11B1 BDKRB1 6/4885

“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.