SCHEMBL3288352

SCHEMBL3288352

CCN(CC(=O)O)c1ccc(C#N)c(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 0.52
PGR P06401 1/20 0.52
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
RXRG P48443 1/20 0.51
S1PR1 P21453 1/20 0.42
TAS2R14 Q9NYV8 1/20 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
SCHEMBL3288921 0.90 AR (0.50) ARPGRRXRARXRBRXRG
SCHEMBL3289163 0.88 AR (0.51) ARPGRRXRARXRBRXRG
SCHEMBL1379881 0.87 AR (0.53) ARPGRRXRARXRBRXRG
SCHEMBL3289696 0.87 AR (0.58) ARPGRRXRARXRBRXRG
SCHEMBL3289697 0.86 AR (0.55) ARPGRRXRARXRBRXRG
SCHEMBL3059975 0.86 AR (0.54) ARPGR
SCHEMBL3288986 0.86 RXRA (0.50) ARPGRRXRARXRBRXRG
SCHEMBL3290636 0.85 AR (0.50) ARPGRRXRARXRBRXRG
SCHEMBL3055089 0.84 AR (0.49) ARPGR
SCHEMBL3290628 0.84 AR (0.47) ARPGRRXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723385-B2 Aniline derivatives as selective androgen receptor modulators GLAXOSMITHKLINE LLC (US) 2010-05-25 US claimed
US-20090163588-A1 ANILINE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-25 US claimed
US-20070191479-A1 Aniline derivatives as selective androgen receptor modulators GLAXOSMITHKLINE LLC 2007-08-16 US claimed
US-7834063-B2 4-[(Cyclopropylmethyl)(2-{[4-(1,1-dimethylethyl)phenyl]oxy}ethyl)amino]-2-(trifluoromethyl)benzonitrile; modulators of androgen, glucocorticoid, mineralocorticoid, and progesterone receptors; osteoporosis, muscle wasting,endometriosis, cardiovascular disease; breast, uterine cancer, prostatic hyperplasia GLAXOSMITHKLINE LLC (US) 2010-11-16 US disclosed
US-7834063-B2 4-[(Cyclopropylmethyl)(2-{[4-(1,1-dimethylethyl)phenyl]oxy}ethyl)amino]-2-(trifluoromethyl)benzonitrile; modulators of androgen, glucocorticoid, mineralocorticoid, and progesterone receptors; osteoporosis, muscle wasting,endometriosis, cardiovascular disease; breast, uterine cancer, prostatic hyperplasia GLAXOSMITHKLINE LLC (US) 2010-11-16 US disclosed
US-7723385-B2 Aniline derivatives as selective androgen receptor modulators GLAXOSMITHKLINE LLC (US) 2010-05-25 US disclosed
US-7723385-B2 Aniline derivatives as selective androgen receptor modulators GLAXOSMITHKLINE LLC (US) 2010-05-25 US 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-20090163588-A1 ANILINE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-25 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-7514470-B2 Aniline derivatives as selective androgen receptor modulators SMITHKLINE BEECHAM CORPORATION (US) 2009-04-07 US disclosed
US-7514470-B2 Aniline derivatives as selective androgen receptor modulators SMITHKLINE BEECHAM CORPORATION (US) 2009-04-07 US disclosed
US-20080255124-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 US disclosed
US-20080255124-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 US disclosed
US-20070191479-A1 Aniline derivatives as selective androgen receptor modulators GLAXOSMITHKLINE LLC 2007-08-16 US disclosed
US-20070191479-A1 Aniline derivatives as selective androgen receptor modulators GLAXOSMITHKLINE LLC 2007-08-16 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 (3 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 24/4885RXRA 247/4885
US-20080255124-A1 Chemical Compounds NR3C2, NR5A1, NR3C1 AR 4/4885PGR 27/4885RXRA 244/4885
US-20070191479-A1 Aniline derivatives as selective androgen receptor modulators AR, NR3C2, NR5A1 AR 1/4885PGR 24/4885RXRA 247/4885

“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.