SCHEMBL3937576

SCHEMBL3937576

COCCCN1CC(C)(C)Oc2ccc(CO[C@@H]3CC[C@@H](CC(C)(C)O)N(S(=O)(=O)c4ccc(C)cc4)C3)cc21

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.32
CASP3 P42574 8/20 0.32
CASP7 P55210 7/20 0.32
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CASP1 P29466 1/20 0.30

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
SCHEMBL3931025 0.93 GAA (0.32) CASP3CASP7GAAALDH1A1CASP1
SCHEMBL4052524 0.92 GAA (0.33) CASP3CASP7GAAALDH1A1
SCHEMBL4047855 0.92 CASP3 (0.31) CASP3CASP7
SCHEMBL3942536 0.91 CASP3 (0.31) CASP3CASP7GAA
SCHEMBL3940557 0.90 CASP3 (0.33) CASP3CASP7GAAALDH1A1CASP1
SCHEMBL3931375 0.90 GAA (0.32) CASP3CASP7GAAALDH1A1
SCHEMBL3938608 0.90 GAA (0.33) CASP3CASP7GAAALDH1A1
SCHEMBL3931372 0.90 GAA (0.32) CASP3CASP7GAAALDH1A1
SCHEMBL3934335 0.89 ALDH1A1 (0.32) CASP3CASP7GAAALDH1A1
SCHEMBL3933940 0.88 POLB (0.37) CASP3CASP7GAAALDH1A1

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-20090306062-A1 2,5-Disubstituted Piperidines NOVARTIS AG (CH) 2009-12-10 US disclosed
EP-2044059-A1 2,5-DISUBSTITUTED PIPERIDINES Speedel Experimenta AG (CH) 2009-04-08 EP disclosed
WO-2007141318-A1 2,5-DISUBSTITUTED PIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2007-12-13 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-20090306062-A1 2,5-Disubstituted Piperidines REN, AGTR1, AGTR2 HSD11B1 2031/4885CASP3 4629/4885CASP7 4322/4885

“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.