SCHEMBL4596249

SCHEMBL4596249

CCCC[C@@H](C(=O)N(C)C)N(Cc1ccccc1Cl)c1ccc(C#N)c(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PGR P06401 19/20 0.58
AR P10275 2/20 0.55
CYP2C19 P33261 5/20 0.43
CYP2D6 P10635 6/20 0.42
CYP2C9 P11712 6/20 0.42

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
SCHEMBL4595579 1.00 PGR (0.58) PGRARCYP2C19CYP2D6CYP2C9
SCHEMBL4896141 0.91 PGR (0.61) PGRARCYP2C19CYP2D6CYP2C9
SCHEMBL4594877 0.91 PGR (0.61) PGRARCYP2C19CYP2D6CYP2C9
SCHEMBL4904645 0.91 PGR (0.61) PGRARCYP2C19CYP2D6CYP2C9
SCHEMBL4594557 0.88 PGR (0.62) PGRARCYP2C19CYP2D6CYP2C9
SCHEMBL4595648 0.88 PGR (0.62) PGRARCYP2C19CYP2D6CYP2C9
SCHEMBL4906635 0.86 PGR (0.78) PGRARCYP2C19CYP2D6CYP2C9
SCHEMBL4904515 0.86 PGR (0.78) PGRARCYP2C19CYP2D6CYP2C9
SCHEMBL4901392 0.85 AR (0.71) PGRAR
SCHEMBL4907347 0.85 AR (0.71) PGRAR

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 6 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
US-20080194536-A1 Cyanoarylamines SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
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 PGR 64/4885AR 84/4885CYP2C19 196/4885

“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.