SCHEMBL785707

SCHEMBL785707

Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)C(NS(=O)(=O)c3c(Cl)cccc3C(F)(F)F)CC4)CC2)cc(C)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.39
RORC P51449 2/20 0.38
EPHX2 P34913 3/20 0.37
RBP4 P02753 3/20 0.36
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
WDR5 P61964 1/20 0.35
NPY5R Q15761 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TTR P02766 1/20 0.33
GHSR Q92847 1/20 0.33
F2 P00734 1/20 0.33
PLAT P00750 1/20 0.33
KLKB1 P03952 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL785149 0.91 F10 (0.38) F10RORCNPY5RKMT2A
SCHEMBL784134 0.87 F10 (0.37) F10RORCNPY5R
SCHEMBL784970 0.86 F10 (0.39) F10RORCEPHX2RBP4TLR9
SCHEMBL784894 0.86 RORC (0.41) F10RORCEPHX2RBP4TLR9
SCHEMBL785212 0.86 F10 (0.39) F10RORCNPY5RKMT2A
SCHEMBL785538 0.84 EPHX2 (0.44) F10RORCEPHX2RBP4TLR9
SCHEMBL784666 0.83 WDR5 (0.41) F10EPHX2RBP4TLR9TLR8
SCHEMBL785587 0.82 RORC (0.43) F10RORCEPHX2RBP4TLR9
SCHEMBL27920390 0.81 EPHX2 (0.36) F10EPHX2RBP4TLR9TLR8
SCHEMBL784110 0.81 F10 (0.37) F10EPHX2RBP4TLR9TLR8

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 F10 524/4885RORC 4667/4885EPHX2 1475/4885

“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.