SCHEMBL785734

SCHEMBL785734

CC(=O)NC1CCCc2ccc(C(=O)N(C)C3CCN(c4ccncc4)CC3)cc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.44
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TAOK3 Q9H2K8 2/20 0.39
TAOK1 Q7L7X3 1/20 0.39
F10 P00742 3/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CCR5 P51681 1/20 0.37
MCHR1 Q99705 1/20 0.37
SLC2A1 P11166 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL784957 0.91 CTSS (0.43) CTSSPOLBMAPTSMN1; SMN2TAOK3
SCHEMBL785767 0.90 CTSS (0.42) CTSSPOLBMAPTSMN1; SMN2TAOK3
SCHEMBL785199 0.89 CTSS (0.47) CTSSPOLBMAPTSMN1; SMN2TAOK3
SCHEMBL785080 0.88 TAOK3 (0.41) CTSSPOLBMAPTSMN1; SMN2TAOK3
SCHEMBL803454 0.88 CTSS (0.41) CTSSPOLBMAPTSMN1; SMN2TAOK3
SCHEMBL785579 0.88 TAOK3 (0.41) CTSSPOLBMAPTSMN1; SMN2TAOK3
SCHEMBL785665 0.88 TAOK3 (0.41) CTSSPOLBMAPTSMN1; SMN2TAOK3
SCHEMBL785228 0.87 TAS1R3 (0.50) CTSSPOLBMAPTSMN1; SMN2TAOK3
SCHEMBL786234 0.87 CCR5 (0.40) CTSSPOLBF10CCR5MCHR1
SCHEMBL785778 0.87 TAOK3 (0.40) CTSSPOLBMAPTTAOK3TAOK1

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 CTSS 824/4885POLB 3355/4885MAPT 3149/4885

“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.