SCHEMBL785767

SCHEMBL785767

CN(C(=O)c1ccc2c(c1)C(NC(=O)C1CCCCC1)CCC2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.42
POLB P06746 2/20 0.42
WDR5 P61964 2/20 0.40
ALDH1A1 P00352 5/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TSHR P16473 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
TAOK1 Q7L7X3 1/20 0.39
TAOK3 Q9H2K8 1/20 0.39
EPHX2 P34913 2/20 0.38
HTT P42858 1/20 0.37
CCR5 P51681 1/20 0.37
KMT2A Q03164 1/20 0.37
F10 P00742 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
SCHEMBL784957 0.97 CTSS (0.43) CTSSPOLBWDR5ALDH1A1MAPT
SCHEMBL784304 0.96 POLB (0.42) CTSSPOLBWDR5CCR5F10
SCHEMBL784410 0.93 POLB (0.41) CTSSPOLBWDR5CCR5KMT2A
SCHEMBL785875 0.91 MCHR1 (0.39) CTSSPOLBWDR5USP2CCR5
SCHEMBL785734 0.90 CTSS (0.44) CTSSPOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL784857 0.89 CA12 (0.46) POLBALDH1A1SMN1; SMN2TSHRHTT
SCHEMBL784555 0.88 NAMPT (0.38) POLBCCR5F10
SCHEMBL784953 0.86 POLB (0.39) POLBALDH1A1CCR5F10
SCHEMBL785199 0.86 CTSS (0.47) CTSSPOLBWDR5ALDH1A1MAPT
SCHEMBL785020 0.86 POLB (0.38) CTSSPOLBWDR5ALDH1A1

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 3355/4885WDR5 2611/4885

“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.