SCHEMBL4595656

SCHEMBL4595656

C[C@@H](C(=O)N(C)C)N(CC(C)(C)C)c1ccc(C#N)c(C(F)(F)F)c1

nearest known ligand 0.85

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 0.85
PGR P06401 2/20 0.85
S1PR1 P21453 1/20 0.42
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
CYP2C19 P33261 1/20 0.38

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
SCHEMBL4595653 1.00 AR (0.85) ARPGRS1PR1RXRARXRB
SCHEMBL3288957 0.92 AR (1.00) ARPGRS1PR1RXRARXRB
SCHEMBL3288953 0.92 AR (1.00) ARPGRS1PR1RXRARXRB
SCHEMBL4906396 0.89 AR (0.69) ARPGRS1PR1RXRARXRB
SCHEMBL4906287 0.89 AR (0.75) ARPGRS1PR1RXRARXRB
SCHEMBL4906278 0.89 AR (0.75) ARPGRS1PR1RXRARXRB
SCHEMBL4596266 0.89 AR (0.81) ARPGRS1PR1RXRARXRB
SCHEMBL4596262 0.89 AR (0.81) ARPGRS1PR1RXRARXRB
SCHEMBL4606672 0.88 AR (0.80) ARPGRS1PR1RXRARXRB
SCHEMBL4595465 0.87 AR (0.66) ARPGRS1PR1RXRARXRB

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-20080194536-A1 Cyanoarylamines SMITHKLINE BEECHAM CORPORATION 2008-08-14 US claimed
EP-1871379-A2 CYANOARYLAMINES Smithkline Beecham Corporation (US) 2008-01-02 EP claimed
WO-2006113552-A2 CYANOARYLAMINES SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 WO claimed
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 64/4885S1PR1 1327/4885

“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.