SCHEMBL13071073

SCHEMBL13071073

N#Cc1ccc(N(CC(=O)NCc2ccccc2)CC2CC2)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.45
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
MCL1 Q07820 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.39
F2 P00734 1/20 0.39
PGR P06401 1/20 0.39
CFD P00746 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CNR2 P34972 2/20 0.38

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
SCHEMBL13071085 0.91 AR (0.42) ARRXRARXRBRXRGPGR
SCHEMBL13070584 0.91 UBE2M (0.41) ARUBE2MDCUN1D1CHRM2CHRM5
SCHEMBL3291849 0.87 CNR2 (0.45) ARRXRARXRBRXRGPGR
SCHEMBL3418884 0.87 LMNA (0.45) ARUBE2MDCUN1D1MCL1RXRA
SCHEMBL13326443 0.87 AR (0.47) ARPGRCNR2
SCHEMBL13070772 0.86 AR (0.45) ARUBE2MDCUN1D1TAS2R14PGR
SCHEMBL13070685 0.85 AR (0.44) ARUBE2MDCUN1D1MCL1RXRA
SCHEMBL13326316 0.85 AR (0.49) ARPGRCNR2
SCHEMBL13029910 0.83 NPC1 (0.39) ARNPC1RAB9ACNR2
SCHEMBL3290973 0.83 AR (0.49) ARRXRARXRBRXRGPGR

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 4/4885UBE2M 1217/4885DCUN1D1 3532/4885

“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.