SCHEMBL785735

SCHEMBL785735

CN(C(=O)c1ccc2c(c1)CC[C@H]2N1Cc2cccc(Cl)c2C1=O)C1CCN(c2ccncc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.43
F10 P00742 3/20 0.38
GHSR Q92847 5/20 0.36
CCR5 P51681 1/20 0.35
PARP1 P09874 1/20 0.34
USP30 Q70CQ3 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 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
SCHEMBL784121 0.95 BDKRB1 (0.42) BDKRB1F10GHSRCCR5PARP1
SCHEMBL784812 0.89 PARP1 (0.47) CCR5PARP1
SCHEMBL784476 0.88 OPRD1 (0.37) GHSRADORA2AADORA1
SCHEMBL785103 0.88 BDKRB1 (0.41) BDKRB1F10CCR5PARP1USP30
SCHEMBL784213 0.87 OPRM1 (0.42) GHSRCCR5PARP1
SCHEMBL785419 0.82 BDKRB1 (0.39) BDKRB1F10CCR5PARP1
SCHEMBL2819112 0.81 BDKRB1 (0.67) BDKRB1
SCHEMBL2821348 0.81 BDKRB1 (0.67) BDKRB1
SCHEMBL784220 0.81 PARP1 (0.38) BDKRB1PARP1
SCHEMBL785463 0.80 F10 (0.35) BDKRB1F10GHSR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US claimed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US claimed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 BDKRB1 1/4885F10 524/4885GHSR 600/4885

“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.