SCHEMBL13029697

SCHEMBL13029697

[C-]#[N+]c1ccc(N(CCOc2ccc(F)cc2)CC2CC2)cc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.38
AR P10275 3/20 0.36
CNR1 P21554 1/20 0.34
CRHR1 P34998 2/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.31
TACR1 P25103 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL13029712 0.95 CNR2 (0.38) CNR2ARCNR1CRHR1ESR1
SCHEMBL13029695 0.91 CNR2 (0.40) CNR2ARCNR1CRHR1
SCHEMBL13029701 0.89 AR (0.37) CNR2ARCNR1CRHR1CYP3A4
SCHEMBL13029685 0.89 CNR2 (0.41) CNR2ARCNR1CRHR1
SCHEMBL13029702 0.88 CNR2 (0.38) CNR2ARCNR1CRHR1LMNA
SCHEMBL13029711 0.86 CNR2 (0.39) CNR2ARCNR1CRHR1SLC6A2
SCHEMBL13029742 0.85 AR (0.33) ARESR1ESR2CYP3A4
SCHEMBL13029693 0.84 ALDH1A1 (0.41) CNR2ARCNR1LMNA
SCHEMBL13029713 0.84 AR (0.36) CNR2ARCNR1CRHR1
SCHEMBL13029710 0.84 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.