SCHEMBL784733

SCHEMBL784733

CN(C(=O)c1ccc2c(c1)C(NS(=O)(=O)Cc1cccc(C(F)(F)F)c1)CC2)C1CCN(c2ccc3cnccc3c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.40
RORC P51449 1/20 0.37
P2RX7 Q99572 2/20 0.36
TRPV1 Q8NER1 2/20 0.35
OPRM1 P35372 1/20 0.35
ROCK2 O75116 3/20 0.35
CYP3A4 P08684 1/20 0.35
F10 P00742 3/20 0.34
DRD4 P21917 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
SCN9A Q15858 1/20 0.34
SLC6A9 P48067 1/20 0.34

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
SCHEMBL784459 0.88 GALR3 (0.41) GALR3RORCF10TSHRKMT2A
SCHEMBL784495 0.88 RORC (0.36) RORCTRPV1OPRM1ROCK2F10
SCHEMBL785319 0.87 F10 (0.39) TRPV1ROCK2F10
SCHEMBL784247 0.86 RORC (0.36) RORCTRPV1F10KMT2A
SCHEMBL784494 0.85 F10 (0.39) ROCK2F10SLC6A9
SCHEMBL785076 0.84 F10 (0.39) F10
SCHEMBL785494 0.80 CRHR1 (0.40)
SCHEMBL785344 0.79 PSMB11 (0.36) TRPV1ROCK2F10
SCHEMBL784019 0.78 TRPV1 (0.40) TRPV1OPRM1KMT2A
SCHEMBL785628 0.78 F10 (0.37) RORCF10KMT2A

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 GALR3 401/4885RORC 4667/4885P2RX7 140/4885

“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.