SCHEMBL4508529

SCHEMBL4508529

COCCCn1c2ccccc2c2ccc(CO[C@@H]3CC[C@@H](CC(C)(C)C(=O)NCC4CCOCC4)NC3)cc21

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.35
REN P00797 11/20 0.33
GSK3B P49841 2/20 0.33
KCNH2 Q12809 2/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR4 Q13639 2/20 0.32
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
CNR1 P21554 1/20 0.32

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
SCHEMBL4508163 0.82 KMT2A (0.35) RENGSK3BKCNH2KMT2A
SCHEMBL8004344 0.82 KMT2A (0.35) RENGSK3BKCNH2KMT2A
SCHEMBL4501578 0.82 REN (0.42) CNR2REN
SCHEMBL4520606 0.82 REN (0.35) CNR2RENGSK3BKCNH2
SCHEMBL4513147 0.81 F10 (0.35) CNR2RENGSK3BKCNH2
SCHEMBL4520612 0.81 BACE1 (0.31) GSK3BKCNH2
SCHEMBL4511682 0.80 GSK3B (0.30) CNR2GSK3BKCNH2CNR1
SCHEMBL4518510 0.80 BACE1 (0.31) GSK3BKCNH2
SCHEMBL4519060 0.80 BACE1 (0.31) GSK3BKCNH2
SCHEMBL4506150 0.80 REN (0.35) RENMEN1ALDH1A1KMT2A

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 CNR2 402/4885REN 1/4885GSK3B 4815/4885

“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.