SCHEMBL13029686

SCHEMBL13029686

[C-]#[N+]c1ccc(N(CCO)CC2CC2)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.43
AR P10275 9/20 0.41
CNR1 P21554 1/20 0.38
CRHR1 P34998 2/20 0.37
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
S1PR1 P21453 1/20 0.32
SCN9A Q15858 2/20 0.32
KCNN4 O15554 1/20 0.31

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
SCHEMBL13029707 0.93 CNR2 (0.42) CNR2ARCNR1CRHR1S1PR1
SCHEMBL13029908 0.83 AR (0.42) CNR2ARCNR1CRHR1SLC6A2
SCHEMBL13029701 0.82 AR (0.37) CNR2ARCNR1CRHR1S1PR1
SCHEMBL13029678 0.82 AR (0.51) AR
SCHEMBL13029713 0.81 AR (0.36) CNR2ARCNR1CRHR1S1PR1
SCHEMBL13029697 0.80 CNR2 (0.38) CNR2ARCNR1CRHR1SLC6A2
SCHEMBL13029968 0.80 CNR2 (0.43) CNR2ARCNR1CRHR1
SCHEMBL13029821 0.80 AR (0.41) ARS1PR1SCN9A
SCHEMBL13029712 0.79 CNR2 (0.38) CNR2ARCNR1CRHR1SLC6A2
SCHEMBL13029695 0.79 CNR2 (0.40) CNR2ARCNR1CRHR1

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 CNR2 528/4885AR 4/4885CNR1 323/4885

“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.