SCHEMBL13029909

SCHEMBL13029909

[C-]#[N+]c1ccc(N(CC(=O)Nc2ccc(F)cc2)CC2CC2)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.39
AR P10275 2/20 0.37
KLK7 P49862 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALOX12 P18054 1/20 0.37
ALDH1A1 P00352 3/20 0.36
SLC6A9 P48067 2/20 0.36
LMNA P02545 2/20 0.36
SLC6A5 Q9Y345 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
THRB P10828 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL13029906 0.91 CNR2 (0.40) CNR2ARALDH1A1SLC6A9KMT2A
SCHEMBL13029887 0.86 ALDH1A1 (0.46) TDP1ALOX12ALDH1A1LMNATSHR
SCHEMBL13029912 0.86 SMN1; SMN2 (0.42) CNR2ALDH1A1LMNAKMT2AMEN1
SCHEMBL13029941 0.85 KMT2A (0.40) ARTDP1ALOX12ALDH1A1LMNA
SCHEMBL13029918 0.85 HPGD (0.40) CNR2ARTDP1ALDH1A1LMNA
SCHEMBL13029898 0.85 RORC (0.40) TDP1ALOX12ALDH1A1LMNATSHR
SCHEMBL13071089 0.83 AR (0.52) CNR2ARCYP2C19
SCHEMBL13029908 0.83 AR (0.42) CNR2AR
SCHEMBL13029931 0.83 PSMB5 (0.39) TDP1ALOX12ALDH1A1SLC6A9LMNA
SCHEMBL13029923 0.82 KLK7 (0.39) CNR2ARKLK7ALDH1A1SLC6A9

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 CNR2 528/4885AR 4/4885KLK7 232/4885

“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.