SCHEMBL13071085

SCHEMBL13071085

N#Cc1ccc(N(CC(=O)NCc2ccc(F)cc2)CC2CC2)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.42
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HRH3 Q9Y5N1 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
PGR P06401 1/20 0.39
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
SCHEMBL13071073 0.91 AR (0.45) ARRAB9ARXRARXRBRXRG
SCHEMBL13070583 0.91 AR (0.41) ARPOLBRAB9ARXRARXRB
SCHEMBL3419210 0.87 AR (0.46) ARRAB9ARXRARXRBRXRG
SCHEMBL13071089 0.87 AR (0.52) ARPGRCNR2
SCHEMBL13326443 0.86 AR (0.47) ARPGRCNR2
SCHEMBL3291849 0.86 CNR2 (0.45) ARRXRARXRBRXRGPGR
SCHEMBL13071072 0.85 AR (0.45) ARRXRARXRBRXRGPGR
SCHEMBL13326316 0.84 AR (0.49) ARPGRCNR2
SCHEMBL13029912 0.84 SMN1; SMN2 (0.42) POLBRAB9ASMN1; SMN2HRH3CNR2
SCHEMBL22676287 0.84 AR (0.41) 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 4/4885POLB 4278/4885RAB9A 4816/4885

“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.