SCHEMBL13601238

SCHEMBL13601238

COCCCN1CC(C)(c2cccc(Cl)c2)Oc2ccc(CO[C@@H]3CC[C@@H](C[C@@H](C)C(=O)NCC4CCOCC4)NC3)cc21

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.36
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP1A2 P05177 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
KCNH2 Q12809 2/20 0.30
GSK3B P49841 1/20 0.30
MCHR1 Q99705 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
SCHEMBL8224503 1.00 CNR2 (0.36) CNR2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7992568 1.00 CNR2 (0.36) CNR2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8002693 0.93 CNR2 (0.34) CNR2KCNH2GSK3B
SCHEMBL8224975 0.93 CNR2 (0.34) CNR2KCNH2GSK3B
SCHEMBL13601242 0.93 CNR2 (0.34) CNR2KCNH2GSK3B
SCHEMBL8227066 0.90 BACE1 (0.34) CNR2CYP2D6CYP2C19CYP1A2KCNH2
SCHEMBL8004952 0.90 BACE1 (0.34) CNR2CYP2D6CYP2C19CYP1A2KCNH2
SCHEMBL4512185 0.90 CNR2 (0.32) CNR2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8219592 0.90 CNR2 (0.32) CNR2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4518261 0.90 CNR2 (0.32) CNR2CYP3A4CYP2D6CYP2C9CYP2C19

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 2 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

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 402/4885CYP3A4 542/4885CYP2D6 239/4885

“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.