SCHEMBL3931375

SCHEMBL3931375

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

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CASP3 P42574 2/20 0.31
CASP7 P55210 2/20 0.31
MAPT P10636 1/20 0.30
FKBP1A P62942 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
SCHEMBL3931372 1.00 GAA (0.32) GAAALDH1A1CASP3CASP7MAPT
SCHEMBL3940557 0.91 CASP3 (0.33) GAAALDH1A1CASP3CASP7
SCHEMBL3938608 0.90 GAA (0.33) GAAALDH1A1CASP3CASP7MAPT
SCHEMBL3937576 0.90 HSD11B1 (0.32) GAAALDH1A1CASP3CASP7
SCHEMBL3934335 0.90 ALDH1A1 (0.32) GAAALDH1A1CASP3CASP7
SCHEMBL3931025 0.88 GAA (0.32) GAAALDH1A1CASP3CASP7MAPT
SCHEMBL3928197 0.88 GAA (0.32) GAAALDH1A1MAPTFKBP1A
SCHEMBL3938542 0.88 RORC (0.36) GAAMAPT
SCHEMBL3938539 0.88 RORC (0.36) GAAMAPT
SCHEMBL4052524 0.88 GAA (0.33) GAAALDH1A1CASP3CASP7MAPT

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 4 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
WO-2009106599-A2 SUBSTITUTED PIPERIDINES AS THERAPEUTIC COMPOUNDS NOVARTIS AG (CH) 2009-09-03 WO 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 GAA 667/4885ALDH1A1 466/4885CASP3 4629/4885

“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.