SCHEMBL1210282

SCHEMBL1210282

CC(C)(c1ccc2c(n1)CCC(C(=O)Nc1cnc3c(c1)COCC3)C2)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.36
RAF1 P04049 10/20 0.35
BRAF P15056 10/20 0.35
TNF P01375 1/20 0.33
ABL1 P00519 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PDE2A O00408 1/20 0.32
MAP3K14 Q99558 1/20 0.32
IKBKB O14920 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL1208729 1.00 RORC (0.36) RORCRAF1BRAFTNFABL1
SCHEMBL1211239 1.00 RORC (0.36) RORCRAF1BRAFTNFABL1
SCHEMBL14781427 0.82 TRPV1 (0.48) NPC1RAB9ACNR1CNR2
SCHEMBL1211511 0.82 TRPV1 (0.48) NPC1RAB9ACNR1CNR2
SCHEMBL909795 0.78 GHSR (0.39) RAF1BRAFNPC1RAB9A
SCHEMBL537526 0.78 GHSR (0.39) RAF1BRAFNPC1RAB9A
SCHEMBL1207921 0.77 TRPV1 (0.37) RORCRAF1BRAF
SCHEMBL2054552 0.77 TRPV1 (0.37) RORCRAF1BRAF
SCHEMBL1208009 0.77 TRPV1 (0.37) RORCRAF1BRAF
SCHEMBL1211712 0.74 TRPV1 (0.53) RORCNPC1RAB9APDE2ACNR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163901-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2012-04-24 US disclosed
US-20110028465-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME EVOTEC AG (DE) 2011-02-03 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-20110028465-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 RORC 2653/4885RAF1 1274/4885BRAF 2816/4885

“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.