SCHEMBL784957

SCHEMBL784957

CN(C(=O)c1ccc2c(c1)C(NC(=O)C1CC1)CCC2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.43
MAPT P10636 3/20 0.40
POLB P06746 2/20 0.40
TSHR P16473 1/20 0.40
USP2 O75604 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 4/20 0.40
TAOK3 Q9H2K8 2/20 0.40
LMNA P02545 1/20 0.40
TAOK1 Q7L7X3 1/20 0.40
EPHX2 P34913 2/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
WDR5 P61964 2/20 0.38
F10 P00742 1/20 0.38
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL785767 0.97 CTSS (0.42) CTSSMAPTPOLBTSHRUSP2
SCHEMBL785875 0.95 MCHR1 (0.39) CTSSPOLBUSP2WDR5F10
SCHEMBL784410 0.93 POLB (0.41) CTSSPOLBWDR5F10
SCHEMBL784304 0.92 POLB (0.42) CTSSPOLBWDR5F10
SCHEMBL785734 0.91 CTSS (0.44) CTSSMAPTPOLBSMN1; SMN2ALDH1A1
SCHEMBL784555 0.90 NAMPT (0.38) POLBF10
SCHEMBL785199 0.87 CTSS (0.47) CTSSMAPTPOLBTSHRSMN1; SMN2
SCHEMBL784378 0.87 CTSS (0.42) CTSSMAPTPOLBTSHRSMN1; SMN2
SCHEMBL803442 0.87 CTSS (0.42) CTSSMAPTPOLBTSHRSMN1; SMN2
SCHEMBL785421 0.87 CTSS (0.42) CTSSMAPTPOLBTSHRSMN1; SMN2

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 824/4885MAPT 3149/4885POLB 3355/4885

“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.