SCHEMBL3416059

SCHEMBL3416059

CCCNCC(=O)N(Cc1ccccc1)c1ccc(C#N)c(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 1/20 0.45
DCUN1D1 Q96GG9 1/20 0.45
AR P10275 12/20 0.42
PGR P06401 1/20 0.42
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.40
NPC1 O15118 1/20 0.39
JAK2 O60674 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
PAX8 Q06710 1/20 0.39
GCGR P47871 1/20 0.37
GIPR P48546 1/20 0.37

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
SCHEMBL3419410 0.91 AR (0.44) UBE2MDCUN1D1ARPGRRXRA
SCHEMBL3410635 0.85 UBE2M (0.44) UBE2MDCUN1D1ARPGRRXRA
SCHEMBL19745673 0.83 RXRA (0.50) UBE2MDCUN1D1ARPGRRXRA
SCHEMBL3288362 0.82 AR (0.42) UBE2MDCUN1D1ARPGR
SCHEMBL3412152 0.82 AR (0.43) ARPGRRXRARXRBRXRG
SCHEMBL3415456 0.81 S1PR1 (0.45) UBE2MDCUN1D1ARPGRTAS2R14
SCHEMBL3417378 0.81 S1PR1 (0.45) UBE2MDCUN1D1ARPGRTAS2R14
SCHEMBL3418822 0.79 AR (0.46) ARPGR
SCHEMBL3417367 0.78 AR (0.42) UBE2MDCUN1D1ARPGRRXRA
SCHEMBL19745814 0.78 AR (0.45) UBE2MDCUN1D1ARPGRRXRA

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 UBE2M 1217/4885DCUN1D1 3532/4885AR 4/4885

“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.