SCHEMBL29967303

SCHEMBL29967303

CN(CC[C@@H](OCc1cccc(N2CCN(C)c3ccccc3C2=O)c1)c1cccs1)C(=O)OC(C)(C)C

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CACNA2D1 P54289 20/20 0.69
▸ SLC6A2 P23975 11/20 0.55

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
SCHEMBL22367230 0.91 CACNA2D1 (0.74) CACNA2D1SLC6A2
SCHEMBL22367226 0.91 CACNA2D1 (0.74) CACNA2D1SLC6A2
SCHEMBL19553257 0.87 CACNA2D1 (0.71) CACNA2D1SLC6A2
SCHEMBL20999998 0.86 CACNA2D1 (0.62) CACNA2D1SLC6A2
SCHEMBL19564704 0.86 CACNA2D1 (0.72) CACNA2D1SLC6A2
SCHEMBL19564626 0.85 CACNA2D1 (0.72) CACNA2D1SLC6A2
SCHEMBL21000049 0.84 CACNA2D1 (0.73) CACNA2D1SLC6A2
SCHEMBL19564635 0.84 CACNA2D1 (0.73) CACNA2D1SLC6A2
SCHEMBL19553291 0.84 CACNA2D1 (0.73) CACNA2D1SLC6A2
SCHEMBL19564697 0.83 CACNA2D1 (0.74) CACNA2D1SLC6A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11401270-B2 Alcoxyamino derivatives for treating pain and pain related conditions ESTEVE PHARMACEUTICALS, S.A. (ES) 2022-08-02 — — 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-11401270-B2 Alcoxyamino derivatives for treating pain and pain related conditions CACNA1B, CACNA1G, CACNA2D2 CACNA2D1 9/4885SLC6A2 22/4885

“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.

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