SCHEMBL13029693

SCHEMBL13029693

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
CNR2 P34972 3/20 0.39
AR P10275 2/20 0.39
HTR2A P28223 1/20 0.38
GHSR Q92847 1/20 0.37
NR1H4 Q96RI1 1/20 0.36
TDP1 Q9NUW8 3/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
ATM Q13315 1/20 0.36
EPHX2 P34913 1/20 0.36
MAPT P10636 2/20 0.36
S1PR1 P21453 1/20 0.36
HTT P42858 1/20 0.36
KLKB1 P03952 1/20 0.35
CNR1 P21554 1/20 0.35

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
SCHEMBL13029705 0.96 ALDH1A1 (0.40) ALDH1A1CNR2ARHTR2AGHSR
SCHEMBL13029729 0.87 ALDH1A1 (0.44) ALDH1A1ARHTR2ATDP1MEN1
SCHEMBL13029815 0.86 ALDH1A1 (0.43) ALDH1A1ARHTR2ATDP1MEN1
SCHEMBL13029695 0.85 CNR2 (0.40) CNR2ARMAPTCNR1
SCHEMBL3417001 0.84 PLA2G7 (0.47) ALDH1A1AR
SCHEMBL13029697 0.84 CNR2 (0.38) CNR2ARLMNACNR1
SCHEMBL13029685 0.83 CNR2 (0.41) ALDH1A1CNR2ARMEN1KMT2A
SCHEMBL13029701 0.83 AR (0.37) CNR2ARS1PR1KLKB1CNR1
SCHEMBL13029715 0.83 ALDH1A1 (0.43) ALDH1A1ARHTR2ATDP1MEN1
SCHEMBL13029702 0.83 CNR2 (0.38) ALDH1A1CNR2ARLMNAMAPT

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 ALDH1A1 1164/4885CNR2 528/4885AR 4/4885

“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.