SCHEMBL3568029

SCHEMBL3568029

CC(C[N+](=O)[O-])CC(C)(O)c1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KCNA5 P22460 5/20 0.38
CNR1 P21554 1/20 0.37
CYP19A1 P11511 2/20 0.37
CYP3A5 P20815 2/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL3574840 0.80 KCNA5 (0.45) CYP3A4LMNACYP1A2CYP11B1CYP11B2
SCHEMBL18779167 0.78 KCNA5 (0.47) CYP3A4LMNACYP1A2CYP11B1CYP11B2
SCHEMBL28632031 0.71 KCNA5 (0.50) CYP3A4LMNACYP1A2CYP11B1CYP11B2
SCHEMBL18193367 0.71 KCNA5 (0.50) CYP3A4LMNACYP1A2CYP11B1CYP11B2
SCHEMBL11631301 0.70 KCNA5 (0.43) CYP3A4LMNACYP1A2CYP11B1CYP11B2
SCHEMBL5929605 0.70 CYP1A2 (0.53) CYP3A4LMNACYP1A2CYP11B1CYP11B2
SCHEMBL14698924 0.70 KCNA5 (0.49) CYP3A4LMNACYP1A2CYP11B1CYP11B2
SCHEMBL7818392 0.69 CNR1 (0.48) LMNACNR1
SCHEMBL11628019 0.68 KCNA5 (0.47) CYP3A4LMNACYP1A2CYP11B1CYP11B2
SCHEMBL12238648 0.68 CYP3A4 (0.49) CYP3A4LMNACYP1A2CYP11B1CYP11B2

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 5 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
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
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 CYP3A4 804/4885LMNA 3854/4885CYP1A2 482/4885

“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.