SCHEMBL785403

SCHEMBL785403

Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)C(N(C)S(=O)(=O)Cc3ccccc3C(F)(F)F)CC4)CC2)cc(C)n1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.42
RORC P51449 2/20 0.39
F10 P00742 1/20 0.38
TTR P02766 2/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
CYP2C9 P11712 6/20 0.36
RBP4 P02753 3/20 0.35
PDK2 Q15119 1/20 0.35

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
SCHEMBL784480 0.91 RORC (0.40) EPHX2RORCF10CYP2C9PDK2
SCHEMBL27920394 0.87 EPHX2 (0.36) EPHX2F10TTRTLR9TLR8
SCHEMBL785538 0.86 EPHX2 (0.44) EPHX2RORCF10TTRTLR9
SCHEMBL784667 0.86 KMT2A (0.40) RORCF10TLR9TLR8TLR7
SCHEMBL784970 0.83 F10 (0.39) EPHX2RORCF10TTRTLR9
SCHEMBL784895 0.83 F10 (0.43) F10TLR9TLR8TLR7
SCHEMBL27920397 0.83 TLR9 (0.36) EPHX2F10TLR9TLR8TLR7
SCHEMBL27920388 0.80 TLR9 (0.38) EPHX2F10TTRTLR9TLR8
SCHEMBL785587 0.80 RORC (0.43) EPHX2RORCF10TLR9TLR8
SCHEMBL28802471 0.80 F10 (0.41) F10TLR9TLR8TLR7

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 5 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
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 CN claimed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US claimed
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 CN disclosed
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 EPHX2 1475/4885RORC 4667/4885F10 524/4885

“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.