SCHEMBL785080

SCHEMBL785080

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAOK3 Q9H2K8 3/20 0.41
TAOK1 Q7L7X3 2/20 0.41
CTSS P25774 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 1/20 0.38
GAA P10253 1/20 0.38
RECQL P46063 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
F10 P00742 1/20 0.37
DRD2 P14416 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL785608 0.95 MCHR1 (0.39) TAOK3TAOK1POLBF10DRD2
SCHEMBL785579 0.89 TAOK3 (0.41) TAOK3TAOK1CTSSKMT2AMEN1
SCHEMBL785665 0.89 TAOK3 (0.41) TAOK3TAOK1CTSSKMT2AMEN1
SCHEMBL785734 0.88 CTSS (0.44) TAOK3TAOK1CTSSPOLBALDH1A1
SCHEMBL785778 0.87 TAOK3 (0.40) TAOK3TAOK1CTSSKMT2APOLB
SCHEMBL784957 0.86 CTSS (0.43) TAOK3TAOK1CTSSPOLBALDH1A1
SCHEMBL803454 0.85 CTSS (0.41) TAOK3TAOK1CTSSPOLBALDH1A1
SCHEMBL785867 0.85 CYP3A4 (0.38) POLBALDH1A1F10
SCHEMBL785229 0.85 HCRTR1 (0.36) CTSSKMT2AMEN1POLBF10
SCHEMBL785767 0.85 CTSS (0.42) TAOK3TAOK1CTSSKMT2APOLB

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 TAOK3 2233/4885TAOK1 2714/4885CTSS 824/4885

“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.