SCHEMBL3576091

SCHEMBL3576091

Cc1c(N2CCCC2c2cccc(S(C)(=O)=O)c2)ccc(C#N)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 17/20 0.46
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
CYP2C19 P33261 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
CDC42BPB Q9Y5S2 1/20 0.39

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
SCHEMBL3572178 0.83 AR (0.55) ARCYP2C19ROCK2ROCK1CDC42BPB
SCHEMBL13114872 0.82 AR (0.47) ARDRD2DRD3ROCK2ROCK1
SCHEMBL13114851 0.82 AR (0.47) ARROCK2ROCK1CDC42BPB
SCHEMBL13114842 0.79 AR (0.55) ARCYP2C19
SCHEMBL13114859 0.78 AR (0.49) ARROCK2ROCK1CDC42BPB
SCHEMBL13114852 0.77 AR (0.53) ARCYP2C19ROCK2ROCK1CDC42BPB
SCHEMBL13114843 0.77 AR (0.53) ARCYP2C19
SCHEMBL13114863 0.76 AR (0.47) ARCYP2C19
SCHEMBL13114868 0.76 AR (0.52) ARCYP2C19
SCHEMBL13114854 0.75 AR (0.51) ARCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807691-B2 Substituted N-arylpyrrolidines as selective androgen receptor modulators ELI LILLY AND COMPANY (US) 2010-10-05 US disclosed
US-7807691-B2 Substituted N-arylpyrrolidines as selective androgen receptor modulators ELI LILLY AND COMPANY (US) 2010-10-05 US disclosed
US-7807691-B2 Substituted N-arylpyrrolidines as selective androgen receptor modulators ELI LILLY AND COMPANY (US) 2010-10-05 US disclosed
EP-1891038-B1 SUBSTITUTED N-ARYLPYRROLIDINES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS LILLY CO ELI (US) 2008-10-29 EP disclosed
US-20080176864-A1 Substituted N-Arylpyrrolidines as Selective Androgen Receptor Modulators ELI LILLY AND COMPANY 2008-07-24 US disclosed
US-20080176864-A1 Substituted N-Arylpyrrolidines as Selective Androgen Receptor Modulators ELI LILLY AND COMPANY 2008-07-24 US disclosed
US-20080176864-A1 Substituted N-Arylpyrrolidines as Selective Androgen Receptor Modulators ELI LILLY AND COMPANY 2008-07-24 US disclosed
EP-1891038-A2 SUBSTITUTED N-ARYLPYRROLIDINES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2008-02-27 EP disclosed
WO-2006124447-A2 SUBSTITUTED N-ARYLPYRROLIDINES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-11-23 WO 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-20080176864-A1 Substituted N-Arylpyrrolidines as Selective Androgen Receptor Modulators AR, FSHR, SHBG AR 1/4885DRD2 1418/4885DRD3 2749/4885

“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.