SCHEMBL784836

SCHEMBL784836

CN(CC1CCN(c2ccncc2)CC1)C(=O)c1ccc2c(c1)[C@H](NC(=O)c1ccccc1Cl)CC2

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 12/20 0.45
TAS1R3 Q7RTX0 3/20 0.42
TAS1R1 Q7RTX1 3/20 0.42
TAS1R2 Q8TE23 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CTSS P25774 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RIPK1 Q13546 1/20 0.38

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
SCHEMBL785272 0.92 BDKRB1 (0.47) BDKRB1TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL785563 0.91 TAS1R3 (0.40) BDKRB1TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL784488 0.90 TAS1R3 (0.40) BDKRB1TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL784081 0.88 ALDH1A1 (0.43) BDKRB1TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL777867 0.88 ALDH1A1 (0.43) BDKRB1TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL784261 0.88 ALDH1A1 (0.43) BDKRB1TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL784268 0.86 TAS1R3 (0.42) BDKRB1TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL784809 0.86 ALDH1A1 (0.44) BDKRB1TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL785388 0.86 F10 (0.51) BDKRB1
SCHEMBL785754 0.85 ALDH1A1 (0.43) BDKRB1TAS1R3TAS1R1TAS1R2ALDH1A1

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 8 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-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
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
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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 1/4885TAS1R3 202/4885TAS1R1 75/4885

“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.