SCHEMBL4894829

SCHEMBL4894829

C[C@H](Nc1ccc(C#N)c(C(F)(F)F)c1)C(=O)N(C)C

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.56
PGR P06401 2/20 0.56
TAS2R14 Q9NYV8 1/20 0.48
CYP2C19 P33261 1/20 0.45
ABCB11 O95342 1/20 0.45
ALB P02768 1/20 0.45
ADRA2C P18825 1/20 0.45
GHSR Q92847 1/20 0.45
SLC22A12 Q96S37 1/20 0.44

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
SCHEMBL4594827 0.88 AR (0.54) ARPGRTAS2R14CYP2C19ABCB11
SCHEMBL3289362 0.80 AR (0.55) ARPGRTAS2R14SLC22A12
SCHEMBL4595644 0.79 TAS2R14 (0.52) ARPGRTAS2R14CYP2C19ABCB11
SCHEMBL19976340 0.78 AR (0.50) ARPGRTAS2R14CYP2C19ABCB11
SCHEMBL1291418 0.78 TAS2R14 (0.51) ARPGRTAS2R14CYP2C19ABCB11
SCHEMBL12140104 0.78 TAS2R14 (0.51) ARPGRTAS2R14CYP2C19ABCB11
SCHEMBL1363920 0.78 TAS2R14 (0.51) ARPGRTAS2R14CYP2C19ABCB11
SCHEMBL1363115 0.78 TAS2R14 (0.51) ARPGRTAS2R14CYP2C19ABCB11
SCHEMBL4903763 0.78 AR (0.46) ARPGR
SCHEMBL4903311 0.77 AR (0.52) ARPGRTAS2R14SLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194536-A1 Cyanoarylamines SMITHKLINE BEECHAM CORPORATION 2008-08-14 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-20080194536-A1 Cyanoarylamines EDNRA, CYP19A1, HSD17B11 AR 84/4885PGR 64/4885TAS2R14 3654/4885

“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.