SCHEMBL1377439

SCHEMBL1377439

CC(C(=O)O)N(CC1CC1)c1ccc(C#N)c(C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PGR P06401 8/20 0.41
CYP2C19 P33261 3/20 0.41
AR P10275 2/20 0.40
XDH P47989 2/20 0.35
PTGIR P43119 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
KCNH2 Q12809 1/20 0.33
LTC4S Q16873 2/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL1377442 1.00 NPC1 (0.41) NPC1RAB9APGRCYP2C19AR
SCHEMBL1377609 0.89 PGR (0.52) PGRCYP2C19CYP2D6CYP2C9KCNH2
SCHEMBL1377611 0.89 PGR (0.52) PGRCYP2C19CYP2D6CYP2C9KCNH2
SCHEMBL13326538 0.87 PGR (0.39) NPC1RAB9APGRCYP2C19AR
SCHEMBL3289466 0.86 AR (0.58) PGRARCYP2D6CYP2C9
SCHEMBL3289468 0.86 AR (0.58) PGRARCYP2D6CYP2C9
SCHEMBL1378894 0.85 PGR (0.38) NPC1RAB9APGRCYP2C19AR
SCHEMBL13326539 0.85 PGR (0.38) NPC1RAB9APGRCYP2C19AR
SCHEMBL1378496 0.85 PGR (0.39) NPC1RAB9APGRCYP2C19AR
SCHEMBL3288273 0.85 PGR (0.39) NPC1RAB9APGRCYP2C19AR

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 22 patents — showing the first 20. 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
JP-4805909-B2 2011-11-02 JP 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-A1 ANILINE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-29 EP claimed
WO-2005085185-A1 ANILINE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-15 WO claimed
EP-1725522-B1 ANILINE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS GLAXOSMITHKLINE LLC (US) 2014-09-10 EP disclosed
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-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-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-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
EP-1725522-A1 ANILINE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-29 EP disclosed
WO-2005085185-A1 ANILINE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-15 WO 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 NPC1 2753/4885RAB9A 4846/4885PGR 24/4885
US-20070191479-A1 Aniline derivatives as selective androgen receptor modulators AR, NR3C2, NR5A1 NPC1 2753/4885RAB9A 4846/4885PGR 24/4885

“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.