SCHEMBL4463526

SCHEMBL4463526

CC(C)(C)OC(=O)OC(=O)[C@@H]1C[C@@H](O)CN1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.37
DPP8 Q6V1X1 4/20 0.37
DPP9 Q86TI2 4/20 0.37
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
SMYD3 Q9H7B4 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
SCHEMBL3997238 1.00 DPP4 (0.37) DPP4DPP8DPP9CHRM2CHRM1
SCHEMBL695946 0.86 DPP4 (0.41) DPP4DPP8DPP9CHRM2CHRM1
SCHEMBL4017978 0.86 DPP4 (0.41) DPP4DPP8DPP9CHRM2CHRM1
SCHEMBL29308170 0.86 DPP4 (0.41) DPP4DPP8DPP9CHRM2CHRM1
SCHEMBL28146362 0.86 DPP4 (0.41) DPP4DPP8DPP9CHRM2CHRM1
SCHEMBL21673908 0.86 DPP4 (0.41) DPP4DPP8DPP9CHRM2CHRM1
Hydrochloric Acid SCHEMBL30914110 0.85 DPP4 (0.40) DPP4DPP8DPP9CHRM2CHRM1
SCHEMBL28476405 0.83 CTSC (0.35) SMYD3
SCHEMBL8135113 0.78 BTK (0.43)
SCHEMBL8151905 0.78 BTK (0.43)

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-7507760-B2 N-type calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2009-03-24 US disclosed
EP-1718633-A1 N-TYPE CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2006-11-08 EP disclosed
WO-2005070919-A1 N-TYPE CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2005-08-04 WO disclosed
US-20050165065-A1 N-type calcium channel blockers ZALICUS PHARMACEUTICALS LTD. (CA) 2005-07-28 US disclosed
WO-2000001714-A1 EFFLUX PUMP INHIBITORS MICROCIDE PHARMACEUTICALS, INC. (US) 2000-01-13 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-20050165065-A1 N-type calcium channel blockers CACNA1B, CACNA1C, CACNA1D DPP4 1304/4885DPP8 1572/4885DPP9 1938/4885

“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.