SCHEMBL13071089

SCHEMBL13071089

N#Cc1ccc(N(CC(=O)Nc2ccc(F)cc2)CC2CC2)cc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 14/20 0.52
CYP2C19 P33261 1/20 0.44
ABCB11 O95342 1/20 0.44
ALB P02768 1/20 0.44
PGR P06401 1/20 0.44
ADRA2C P18825 1/20 0.44
GHSR Q92847 1/20 0.44
CNR2 P34972 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
SCHEMBL13070772 0.91 AR (0.45) ARPGRCNR2
SCHEMBL3419674 0.87 AR (0.57) ARCYP2C19ABCB11ALBPGR
SCHEMBL13071085 0.87 AR (0.42) ARPGRCNR2
SCHEMBL13070688 0.86 AR (0.56) ARCYP2C19ABCB11ALBPGR
SCHEMBL13326316 0.86 AR (0.49) ARPGRCNR2
SCHEMBL13070583 0.85 AR (0.41) ARPGR
SCHEMBL13070578 0.85 AR (0.55) ARCYP2C19ABCB11ALBPGR
SCHEMBL13326443 0.84 AR (0.47) ARPGRCNR2
SCHEMBL3291849 0.84 CNR2 (0.45) ARPGRCNR2
SCHEMBL13070775 0.83 AR (0.53) ARCYP2C19ABCB11ALBPGR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140154181-A1 RGD-CONTAINING PEPTIDOMIMETICS AND USES THEREOF STEBA BIOTECH S.A. (LU) 2014-06-05 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20140154181-A1 RGD-CONTAINING PEPTIDOMIMETICS AND USES THEREOF GRPR, VIP, PROKR1 AR 3008/4885CYP2C19 3828/4885ABCB11 2914/4885
US-20080255124-A1 Chemical Compounds NR3C2, NR5A1, NR3C1 AR 4/4885CYP2C19 236/4885ABCB11 1895/4885

“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.