SCHEMBL8227066

SCHEMBL8227066

COCCCN1CC(C)(c2cc(F)cc(F)c2)Oc2ccc(CO[C@@H]3CC[C@@H](C[C@H](C)C(=O)NCC4CCOCC4)NC3)cc21

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.34
CNR2 P34972 3/20 0.32
GSK3B P49841 1/20 0.31
KCNH2 Q12809 1/20 0.31
BACE2 Q9Y5Z0 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL8004952 1.00 BACE1 (0.34) BACE1CNR2GSK3BKCNH2BACE2
SCHEMBL8224975 0.95 CNR2 (0.34) BACE1CNR2GSK3BKCNH2
SCHEMBL8002693 0.95 CNR2 (0.34) BACE1CNR2GSK3BKCNH2
SCHEMBL13601242 0.95 CNR2 (0.34) BACE1CNR2GSK3BKCNH2
SCHEMBL13601238 0.90 CNR2 (0.36) CNR2GSK3BKCNH2CYP1A2CYP2D6
SCHEMBL7992568 0.90 CNR2 (0.36) CNR2GSK3BKCNH2CYP1A2CYP2D6
SCHEMBL8224503 0.90 CNR2 (0.36) CNR2GSK3BKCNH2CYP1A2CYP2D6
SCHEMBL4510147 0.89 BACE1 (0.32) BACE1
SCHEMBL4510146 0.89 BACE1 (0.32) BACE1
SCHEMBL8004607 0.89 BACE1 (0.32) BACE1

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 3 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-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 BACE1 1580/4885CNR2 402/4885GSK3B 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.