SCHEMBL4498150

SCHEMBL4498150

COCCCCc1cc(C)cc(CO[C@@H]2CC[C@@H](CC(C)(C)C(=O)NCC3CCOCC3)NC2)c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.33
GSK3B P49841 2/20 0.33
CNR2 P34972 4/20 0.33
CNR1 P21554 2/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
DRD2 P14416 2/20 0.31
DRD3 P35462 2/20 0.31
REN P00797 2/20 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
SCHEMBL4497698 0.88 GSK3B (0.33) KCNH2GSK3BCNR2NPC1RAB9A
SCHEMBL4520606 0.84 REN (0.35) KCNH2GSK3BCNR2NPC1RAB9A
SCHEMBL4501578 0.82 REN (0.42) CNR2NPC1RAB9AREN
SCHEMBL4513147 0.81 F10 (0.35) KCNH2GSK3BCNR2REN
SCHEMBL4508529 0.79 CNR2 (0.35) KCNH2GSK3BCNR2CNR1REN
SCHEMBL4507758 0.79 GSK3B (0.31) KCNH2GSK3B
SCHEMBL8004344 0.78 KMT2A (0.35) KCNH2GSK3BREN
SCHEMBL4508163 0.78 KMT2A (0.35) KCNH2GSK3BREN
SCHEMBL4511682 0.77 GSK3B (0.30) KCNH2GSK3BCNR2CNR1
SCHEMBL4520612 0.76 BACE1 (0.31) KCNH2GSK3B

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-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
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 KCNH2 104/4885GSK3B 4815/4885CNR2 402/4885

“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.