SCHEMBL29967235

SCHEMBL29967235

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.40
▸ CACNA2D1 P54289 10/20 0.38
▸ SLC6A2 P23975 8/20 0.38
▸ GBA1 P04062 1/20 0.37
▸ CTSB P07858 1/20 0.35
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ MAOB P27338 3/20 0.34
▸ GLS O94925 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SOS1 Q07889 1/20 0.33

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
SCHEMBL22367190 0.87 CACNA2D1 (0.41) RIPK1CACNA2D1SLC6A2NPC1MAOB
SCHEMBL20917472 0.87 CACNA2D1 (0.41) RIPK1CACNA2D1SLC6A2NPC1MAOB
SCHEMBL21747667 0.84 RIPK1 (0.40) RIPK1CACNA2D1CTSBCTSSCTSK
SCHEMBL19564591 0.84 RIPK1 (0.40) RIPK1CACNA2D1CTSBCTSSCTSK
SCHEMBL29457634 0.77 GBA1 (0.45) RIPK1GBA1CTSSCTSKNPC1
SCHEMBL20309012 0.77 GBA1 (0.45) RIPK1GBA1CTSSCTSKNPC1
SCHEMBL29967173 0.77 GBA1 (0.45) RIPK1GBA1CTSSCTSKNPC1
SCHEMBL29967303 0.77 CACNA2D1 (0.69) CACNA2D1SLC6A2
SCHEMBL21102740 0.77 CACNA2D1 (0.42) CACNA2D1SLC6A2GBA1HTR2CSLC6A4
SCHEMBL19564629 0.77 GBA1 (0.39) CACNA2D1SLC6A2GBA1

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 RIPK1 4860/4885CACNA2D1 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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