SCHEMBL784683

SCHEMBL784683

O=C(NCCC1CCN(c2ccncc2)CC1)c1ccc2c(c1)C(NC(=O)c1cncnc1)CC2

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 9/20 0.43
F10 P00742 7/20 0.40
CHRM4 P08173 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
SCHEMBL784501 0.86 BDKRB1 (0.43) BDKRB1F10
SCHEMBL785224 0.86 BDKRB1 (0.44) BDKRB1F10CHRM4
SCHEMBL785163 0.86 BDKRB1 (0.42) BDKRB1F10
SCHEMBL784302 0.86 BDKRB1 (0.43) BDKRB1F10
SCHEMBL785686 0.85 BDKRB1 (0.59) BDKRB1F10
SCHEMBL783741 0.85 BDKRB1 (0.59) BDKRB1F10
SCHEMBL803947 0.85 F10 (0.48) BDKRB1F10
SCHEMBL784561 0.85 BDKRB1 (0.42) BDKRB1F10
SCHEMBL784492 0.84 BDKRB1 (0.45) BDKRB1F10
SCHEMBL28802450 0.84 BDKRB1 (0.48) BDKRB1F10CHRM4

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 524/4885CHRM4 469/4885

“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.