SCHEMBL3416477

SCHEMBL3416477

CC(C)CN(C(=O)CNc1ccc(F)cc1)c1ccc(C#N)c(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 15/20 0.49
PGR P06401 2/20 0.47
CYP2C19 P33261 1/20 0.47
ABCB11 O95342 1/20 0.47
ALB P02768 1/20 0.47
ADRA2C P18825 1/20 0.47
GHSR Q92847 1/20 0.47

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
SCHEMBL13070775 0.80 AR (0.53) ARPGRCYP2C19ABCB11ALB
SCHEMBL3415994 0.78 AR (0.48) ARPGRCYP2C19ABCB11ALB
SCHEMBL5527140 0.76 AR (0.48) ARPGRCYP2C19ABCB11ALB
SCHEMBL3419410 0.74 AR (0.44) ARPGRCYP2C19ABCB11ALB
SCHEMBL13326442 0.73 AR (0.53) ARPGR
SCHEMBL3412152 0.73 AR (0.43) ARPGRCYP2C19ABCB11ALB
SCHEMBL3419674 0.73 AR (0.57) ARPGRCYP2C19ABCB11ALB
SCHEMBL3289697 0.73 AR (0.55) ARPGR
SCHEMBL3289485 0.72 AR (0.54) ARPGRCYP2C19
SCHEMBL3289642 0.72 AR (0.54) ARPGR

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 4/4885PGR 27/4885CYP2C19 236/4885

“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.