SCHEMBL3289079

SCHEMBL3289079

CCN(C(=O)[C@H](C)NCC1CC1)c1ccc(C#N)c(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.48
PGR P06401 1/20 0.48
POLQ O75417 3/20 0.45
CNR2 P34972 2/20 0.43
S1PR1 P21453 1/20 0.41
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40

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
SCHEMBL3289363 0.88 AR (0.53) ARPGRCNR2S1PR1UBE2M
SCHEMBL1376556 0.85 PGR (0.45) PGRCNR2
SCHEMBL3418828 0.85 AR (0.47) ARPGRCNR2S1PR1UBE2M
SCHEMBL3288282 0.83 CNR2 (0.45) ARPGRPOLQCNR2S1PR1
SCHEMBL4207876 0.78 CNR2 (0.53) ARPGRCNR2UBE2MDCUN1D1
SCHEMBL13326319 0.78 CNR2 (0.45) ARPGRCNR2S1PR1
SCHEMBL3289604 0.78 CNR2 (0.53) ARPGRCNR2UBE2MDCUN1D1
SCHEMBL13326416 0.76 AR (0.48) ARPGRCNR2UBE2MDCUN1D1
SCHEMBL4221768 0.75 AR (0.62) ARPGRPOLQS1PR1
SCHEMBL3293347 0.75 AR (0.44) ARPGRCNR2S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1725522-B1 ANILINE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS GLAXOSMITHKLINE LLC (US) 2014-09-10 EP claimed
US-7514470-B2 Aniline derivatives as selective androgen receptor modulators SMITHKLINE BEECHAM CORPORATION (US) 2009-04-07 US claimed
US-20070191479-A1 Aniline derivatives as selective androgen receptor modulators GLAXOSMITHKLINE LLC 2007-08-16 US claimed
EP-1725522-B1 ANILINE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS GLAXOSMITHKLINE LLC (US) 2014-09-10 EP disclosed
US-7723385-B2 Aniline derivatives as selective androgen receptor modulators GLAXOSMITHKLINE LLC (US) 2010-05-25 US disclosed
US-20090163588-A1 ANILINE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-25 US disclosed
US-7514470-B2 Aniline derivatives as selective androgen receptor modulators SMITHKLINE BEECHAM CORPORATION (US) 2009-04-07 US disclosed
US-20070191479-A1 Aniline derivatives as selective androgen receptor modulators GLAXOSMITHKLINE LLC 2007-08-16 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 (2 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-20090163588-A1 ANILINE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS AR, NR3C2, NR5A1 AR 1/4885PGR 24/4885POLQ 4008/4885
US-20070191479-A1 Aniline derivatives as selective androgen receptor modulators AR, NR3C2, NR5A1 AR 1/4885PGR 24/4885POLQ 4008/4885

“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.