SCHEMBL8004960

SCHEMBL8004960

COCCCN1CC(C)(C)Oc2ccc(CO[C@@H]3CC[C@@H](C[C@H](OC)C(=O)NCC4CCOCC4)NC3)cc21

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSD P07339 2/20 0.31
GSK3B P49841 1/20 0.30
KCNH2 Q12809 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL13601253 1.00 CTSD (0.31) CTSDGSK3BKCNH2CNR1CNR2
SCHEMBL8009577 1.00 CTSD (0.31) CTSDGSK3BKCNH2CNR1CNR2
SCHEMBL8006478 0.88 GSK3B (0.31) GSK3BKCNH2CNR1CNR2
SCHEMBL4511682 0.87 GSK3B (0.30) GSK3BKCNH2CNR1CNR2
SCHEMBL8005030 0.85 REN (0.32) CNR1CNR2
SCHEMBL8005033 0.84 REN (0.33) CNR1CNR2
SCHEMBL8004952 0.84 BACE1 (0.34) GSK3BKCNH2CNR2
SCHEMBL8227066 0.84 BACE1 (0.34) GSK3BKCNH2CNR2
SCHEMBL8004956 0.84 BACE1 (0.35)
SCHEMBL7992568 0.82 CNR2 (0.36) GSK3BKCNH2CNR2

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 CTSD 565/4885GSK3B 4815/4885KCNH2 104/4885

“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.