SCHEMBL784388

SCHEMBL784388

O=C(NCCC1CCN(c2ccncc2)CC1)c1ccc2c(c1)C(NC(=O)c1cccc(Cl)c1Cl)CC2

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 12/20 0.52
F10 P00742 4/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
SLC2A1 P11166 2/20 0.42

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
SCHEMBL783741 0.94 BDKRB1 (0.59) BDKRB1F10TAS1R3TAS1R1TAS1R2
SCHEMBL785686 0.94 BDKRB1 (0.59) BDKRB1F10TAS1R3TAS1R1TAS1R2
SCHEMBL784146 0.87 BDKRB1 (0.51) BDKRB1F10
SCHEMBL784471 0.87 BDKRB1 (0.48) BDKRB1F10SLC2A1
SCHEMBL28802450 0.86 BDKRB1 (0.48) BDKRB1F10
SCHEMBL785388 0.86 F10 (0.51) BDKRB1F10
SCHEMBL784501 0.85 BDKRB1 (0.43) BDKRB1F10TAS1R3TAS1R1TAS1R2
SCHEMBL784492 0.85 BDKRB1 (0.45) BDKRB1F10
SCHEMBL784228 0.84 BDKRB1 (0.48) BDKRB1F10
SCHEMBL785392 0.84 BDKRB1 (0.48) BDKRB1F10TAS1R3TAS1R1TAS1R2

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-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-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 524/4885TAS1R3 202/4885

“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.