SCHEMBL8004956

SCHEMBL8004956

COCCCN1CC(C)(C)Oc2ccc(CO[C@@H]3CC[C@@H](C[C@H](C)NC(=O)C4CCOCC4)NC3)cc21

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.35
BACE2 Q9Y5Z0 1/20 0.33
REN P00797 2/20 0.31
ACACB O00763 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
SCHEMBL13601255 0.94 BACE1 (0.36) BACE1BACE2RENACACB
SCHEMBL8005030 0.91 REN (0.32) BACE1REN
SCHEMBL7992575 0.87 BACE1 (0.38) BACE1BACE2
SCHEMBL13601262 0.86 BACE1 (0.36) BACE1BACE2REN
SCHEMBL8005033 0.86 REN (0.33) BACE1REN
SCHEMBL4518451 0.84 BACE1 (0.30) BACE1
SCHEMBL8009577 0.84 CTSD (0.31)
SCHEMBL8004960 0.84 CTSD (0.31)
SCHEMBL13601253 0.84 CTSD (0.31)
SCHEMBL7994440 0.82 BACE1 (0.31) BACE1

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
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
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 BACE1 1580/4885BACE2 1285/4885REN 1/4885

“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.