SCHEMBL4497698

SCHEMBL4497698

COCCCCc1cc(CO[C@@H]2CC[C@@H](CC(C)(C)C(=O)NCC3CCOCC3)NC2)cc(C)n1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.33
KCNH2 Q12809 2/20 0.33
CNR2 P34972 7/20 0.32
EGLN1 Q9GZT9 1/20 0.32
CYP2D6 P10635 2/20 0.31
CYP2C19 P33261 2/20 0.31
BRD4 O60885 1/20 0.31
CYP1A2 P05177 1/20 0.31
PDE8B O95263 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SYK P43405 1/20 0.30
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
SCHEMBL4498150 0.88 KCNH2 (0.33) GSK3BKCNH2CNR2NPC1RAB9A
SCHEMBL4520606 0.83 REN (0.35) GSK3BKCNH2CNR2BRD4CYP3A4
SCHEMBL4501578 0.81 REN (0.42) CNR2CYP3A4NPC1RAB9AREN
SCHEMBL4513147 0.81 F10 (0.35) GSK3BKCNH2CNR2BRD4CYP1A2
SCHEMBL4050149 0.80 CNR2 (0.36) CNR2RAB9A
SCHEMBL4508529 0.76 CNR2 (0.35) GSK3BKCNH2CNR2REN
SCHEMBL4507758 0.76 GSK3B (0.31) GSK3BKCNH2
SCHEMBL4508163 0.76 KMT2A (0.35) GSK3BKCNH2REN
SCHEMBL8004344 0.76 KMT2A (0.35) GSK3BKCNH2REN
SCHEMBL8218930 0.75 REN (0.35) CYP2C19CYP1A2CYP2C9REN

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 GSK3B 4815/4885KCNH2 104/4885CNR2 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.