SCHEMBL784247

SCHEMBL784247

CN(C(=O)c1ccc2c(c1)C(NS(=O)(=O)Cc1ccccc1F)CC2)C1CCN(c2ccc3cnccc3c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.36
NR1H3 Q13133 1/20 0.36
RORB Q92753 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
F10 P00742 4/20 0.35
CCR3 P51677 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPY5R Q15761 2/20 0.34
DPP4 P27487 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
MMP2 P08253 1/20 0.34
MMP13 P45452 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.34
JAK1 P23458 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
F2 P00734 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
SCHEMBL784495 0.92 RORC (0.36) RORCF10CCR3NPY5RMMP2
SCHEMBL785319 0.89 F10 (0.39) F10NPY5RJAK1F2TRPV1
SCHEMBL784122 0.87 F10 (0.38) RORCNR1H3RORBNR1H4F10
SCHEMBL784494 0.87 F10 (0.39) F10NPY5RJAK1F2
SCHEMBL784733 0.86 GALR3 (0.40) RORCF10KMT2ATRPV1
SCHEMBL785076 0.86 F10 (0.39) F10NPY5RJAK1F2
SCHEMBL785628 0.83 F10 (0.37) RORCF10KMT2AJAK1
SCHEMBL785529 0.80 TRPV1 (0.40) F10JAK1TRPV1
SCHEMBL784656 0.80 ABL1 (0.40) F10NPY5R
SCHEMBL785873 0.79 DRD2 (0.39) F10NPY5RMMP2MMP13ADAMTS5

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 RORC 4667/4885NR1H3 1802/4885RORB 4354/4885

“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.