SCHEMBL1380671

SCHEMBL1380671

C[C@H](NCC1CC1)C(=O)Nc1ccc(C#N)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 11/20 0.49
CNR2 P34972 1/20 0.46
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
IDO1 P14902 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MCL1 Q07820 1/20 0.43
F11 P03951 1/20 0.42
KLKB1 P03952 1/20 0.42
AR P10275 2/20 0.41

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
SCHEMBL4207876 0.84 CNR2 (0.53) CNR2AR
SCHEMBL3289604 0.84 CNR2 (0.53) CNR2AR
SCHEMBL1378748 0.81 RORC (0.49) RORCALDH1A1LMNAGAAIDO1
SCHEMBL1378638 0.80 RORC (0.48) RORCCNR2ALDH1A1LMNAGAA
SCHEMBL1378941 0.79 RORC (0.52) RORCALDH1A1LMNAGAAIDO1
SCHEMBL3288840 0.78 PGR (0.46) CNR2AR
SCHEMBL1376556 0.76 PGR (0.45) CNR2
SCHEMBL14319106 0.76 IDO1 (0.49) RORCALDH1A1LMNAGAAIDO1
SCHEMBL18677414 0.76 IDO1 (0.49) RORCALDH1A1LMNAGAAIDO1
SCHEMBL3289364 0.75 JAK2 (0.53) RORCCNR2IDO1AR

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 13 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
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
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
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 RORC 162/4885CNR2 677/4885ALDH1A1 1273/4885
US-20070191479-A1 Aniline derivatives as selective androgen receptor modulators AR, NR3C2, NR5A1 RORC 162/4885CNR2 677/4885ALDH1A1 1273/4885

“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.