SCHEMBL3419404

SCHEMBL3419404

CC(=O)Nc1ccc(OCCN(CC(F)(F)F)c2ccc(C#N)c(C(F)(F)F)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 3/20 0.49
AR P10275 6/20 0.48
PGR P06401 1/20 0.47
ALDH1A1 P00352 1/20 0.44
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL3417012 0.95 PLA2G7 (0.49) PLA2G7ARPGRALDH1A1CYP2D6
SCHEMBL3419661 0.94 AR (0.50) PLA2G7ARALDH1A1CYP2D6CYP2C9
SCHEMBL3414486 0.91 AR (0.46) PLA2G7ARPGRCYP2D6CYP2C9
SCHEMBL3419477 0.90 AR (0.45) PLA2G7ARPGRCYP2D6CYP2C9
SCHEMBL5140041 0.89 AR (0.48) ARPGRCYP2D6CYP2C9CYP2C19
SCHEMBL3414201 0.89 AR (0.49) PLA2G7ARALDH1A1CYP2D6CYP2C9
SCHEMBL3418840 0.88 AR (0.45) PLA2G7ARPGR
SCHEMBL3416676 0.87 AR (0.49) ARPGRALDH1A1
SCHEMBL3417001 0.87 PLA2G7 (0.47) PLA2G7ARALDH1A1
SCHEMBL13070768 0.87 AR (0.42) PLA2G7ARPGRCYP2D6CYP2C9

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 6 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 claimed
US-20080255124-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 US claimed
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-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
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 PLA2G7 2046/4885AR 4/4885PGR 27/4885

“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.