SCHEMBL4519060

SCHEMBL4519060

COCCCN1C[C@](C)(c2ccccc2)Oc2ccc(CO[C@@H]3CC[C@@H](CC(C)(C)C(=O)NCC4CCOCC4)NC3)cc21

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.31
OPRM1 P35372 2/20 0.30
OPRL1 P41146 2/20 0.30
GSK3B P49841 1/20 0.30
KCNH2 Q12809 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
SCHEMBL4518510 1.00 BACE1 (0.31) BACE1OPRM1OPRL1GSK3BKCNH2
SCHEMBL4508677 0.95 GSK3B (0.32) GSK3BKCNH2
SCHEMBL4508674 0.95 GSK3B (0.32) GSK3BKCNH2
SCHEMBL8219592 0.94 CNR2 (0.32) KCNH2
SCHEMBL4505409 0.94 CNR2 (0.32) BACE1
SCHEMBL4505411 0.94 CNR2 (0.32) BACE1
SCHEMBL4512185 0.94 CNR2 (0.32) KCNH2
SCHEMBL4518261 0.94 CNR2 (0.32) KCNH2
SCHEMBL8225035 0.94 CNR2 (0.32) BACE1
SCHEMBL4510146 0.93 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 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 BACE1 1580/4885OPRM1 99/4885OPRL1 139/4885

“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.