SCHEMBL784495

SCHEMBL784495

CN(C(=O)c1ccc2c(c1)C(NS(=O)(=O)Cc1ccccc1C(F)(F)F)CC2)C1CCN(c2ccc3cnccc3c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.36
TRPV1 Q8NER1 3/20 0.35
PTK2 Q05397 2/20 0.34
F10 P00742 3/20 0.34
EPHX2 P34913 2/20 0.34
OPRM1 P35372 1/20 0.33
MMP2 P08253 1/20 0.33
MMP13 P45452 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
ROCK2 O75116 1/20 0.33
NPY5R Q15761 1/20 0.33
CCR3 P51677 1/20 0.33
CYP2C9 P11712 1/20 0.32
RBP4 P02753 1/20 0.32
BRS3 P32247 1/20 0.32

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
SCHEMBL784247 0.92 RORC (0.36) RORCTRPV1F10MMP2MMP13
SCHEMBL785628 0.91 F10 (0.37) RORCPTK2F10EPHX2JAK2
SCHEMBL785538 0.88 EPHX2 (0.44) RORCF10EPHX2CYP2C9RBP4
SCHEMBL784733 0.88 GALR3 (0.40) RORCTRPV1F10OPRM1ROCK2
SCHEMBL785319 0.88 F10 (0.39) TRPV1F10JAK2JAK1ROCK2
SCHEMBL785596 0.87 RORC (0.37) RORCPTK2F10EPHX2CYP2C9
SCHEMBL785209 0.86 F10 (0.37) RORCPTK2F10EPHX2ROCK2
SCHEMBL784494 0.85 F10 (0.39) F10JAK2JAK1ROCK2NPY5R
SCHEMBL785076 0.84 F10 (0.39) F10JAK2JAK1NPY5R
SCHEMBL784568 0.81 WDR5 (0.40) TRPV1F10ROCK2RBP4

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 4 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-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US 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 RORC 4667/4885TRPV1 21/4885PTK2 4267/4885

“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.