SCHEMBL3289604

SCHEMBL3289604

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

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.53
AR P10275 10/20 0.52
UBE2M P61081 1/20 0.47
DCUN1D1 Q96GG9 1/20 0.47
CYP2C19 P33261 1/20 0.47
ABCB11 O95342 1/20 0.47
ALB P02768 1/20 0.47
PGR P06401 1/20 0.47
ADRA2C P18825 1/20 0.47
GHSR Q92847 1/20 0.47

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 1.00 CNR2 (0.53) CNR2ARUBE2MDCUN1D1CYP2C19
SCHEMBL3289474 0.84 AR (0.56) ARCYP2C19ABCB11ALBPGR
SCHEMBL1380671 0.84 RORC (0.49) CNR2AR
SCHEMBL3289681 0.83 AR (0.54) ARCYP2C19ABCB11ALBPGR
SCHEMBL20459116 0.80 AR (0.60) ARCYP2C19ABCB11ALBPGR
SCHEMBL3288934 0.80 CNR2 (0.56) CNR2AR
SCHEMBL3289363 0.79 AR (0.53) CNR2ARUBE2MDCUN1D1PGR
SCHEMBL29328408 0.78 AR (0.64) ARCYP2C19ABCB11ALBPGR
SCHEMBL3289079 0.78 AR (0.48) CNR2ARUBE2MDCUN1D1PGR
SCHEMBL19694994 0.78 AR (0.63) ARCYP2C19ABCB11ALBPGR

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 CNR2 677/4885AR 1/4885UBE2M 2048/4885
US-20070191479-A1 Aniline derivatives as selective androgen receptor modulators AR, NR3C2, NR5A1 CNR2 677/4885AR 1/4885UBE2M 2048/4885

“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.