SCHEMBL5634801

SCHEMBL5634801

CC(C)(C)OC(=O)C1(CN)CCNC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 17/20 0.38
SLC6A2 P23975 17/20 0.38
SLC6A4 P31645 17/20 0.38
SLC6A3 Q01959 17/20 0.38
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
DGAT1 O75907 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
SCHEMBL27435858 0.90 CYP4F2 (0.36) CYP2D6SLC6A2SLC6A4SLC6A3CYP4F2
SCHEMBL27427642 0.86 CYP4F2 (0.35) CYP4F2CYP4A11
SCHEMBL29156971 0.85 CYP4F2 (0.38) CYP2D6SLC6A2SLC6A4SLC6A3CYP4F2
SCHEMBL4339942 0.83 SLC6A2 (0.36) CYP2D6SLC6A2SLC6A4SLC6A3CYP4F2
SCHEMBL2298802 0.83 SLC6A2 (0.36) CYP2D6SLC6A2SLC6A4SLC6A3CYP4F2
SCHEMBL18044818 0.81 CYP4F2 (0.43) CYP4F2CYP4A11DGAT1
SCHEMBL25273742 0.78 CYP4F2 (0.37) CYP2D6SLC6A2SLC6A4SLC6A3CYP4F2
SCHEMBL7470646 0.78 CYP2D6 (0.36) CYP2D6SLC6A2SLC6A4SLC6A3CYP4F2
Toluene SCHEMBL27486527 0.78 OPRM1 (0.44) CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL782051 0.78 CYP4F2 (0.38) CYP4F2CYP4A11DGAT1

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-7244758-B2 N-type calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2007-07-17 US disclosed
CN-1816332-A 3-aminomethyl-pyrrolidines as N-type calcium channel blockers NEUROMED TECH INC (CA) 2006-08-09 CN disclosed
EP-1633343-A1 3-AMINOMETHYL-PYRROLIDINES AS N-TYPE CALCIUM CHANNEL BLOCKERS Neuromed Technologies, Inc. (CA) 2006-03-15 EP disclosed
US-20050014748-A1 N-type calcium channel blockers NEUROMED TECHNOLOGIES INC. 2005-01-20 US disclosed
WO-2004105750-A1 3-AMINOMETHYL-PYRROLIDINES AS N-TYPE CALCIUM CHANNEL BLOCKERS NEUROMED TECHNOLOGIES, INC. (CA) 2004-12-09 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-20050014748-A1 N-type calcium channel blockers CACNA1B, CACNA1C, CACNA1I CYP2D6 3363/4885SLC6A2 723/4885SLC6A4 332/4885

“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.