SCHEMBL13029908

SCHEMBL13029908

[C-]#[N+]c1ccc(N(CC(=O)O)CC2CC2)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.42
CNR2 P34972 3/20 0.40
CRHR1 P34998 2/20 0.36
CNR1 P21554 1/20 0.35
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 4/20 0.34
LTC4S Q16873 3/20 0.33
SCN9A Q15858 2/20 0.32
HCAR3 P49019 1/20 0.32
UTS2R Q9UKP6 1/20 0.32

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
SCHEMBL13029906 0.86 CNR2 (0.40) ARCNR2SLC6A2SLC6A4
SCHEMBL13029910 0.84 NPC1 (0.39) ARCNR2SLC6A2SLC6A4
SCHEMBL13029686 0.83 CNR2 (0.43) ARCNR2CRHR1CNR1SLC6A2
SCHEMBL13029909 0.83 CNR2 (0.39) ARCNR2
SCHEMBL13029916 0.83 EPHX2 (0.41) ARCNR2
SCHEMBL13029936 0.83 AR (0.39) AR
SCHEMBL13029890 0.83 ALDH1A1 (0.38) AR
SCHEMBL13029914 0.82 KMT2A (0.43) CNR2
SCHEMBL13029917 0.82 KMT2A (0.43) CNR2
SCHEMBL13029912 0.81 SMN1; SMN2 (0.42) CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20080255124-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 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 (1 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-20080255124-A1 Chemical Compounds NR3C2, NR5A1, NR3C1 AR 4/4885CNR2 528/4885CRHR1 60/4885

“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.