SCHEMBL29967239

SCHEMBL29967239

CN(CCC(OCc1ccc(CBr)cc1)c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 4/20 0.38
▸ GPR88 Q9GZN0 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ SLC6A9 P48067 3/20 0.36
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ GBA1 P04062 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ AKT1 P31749 1/20 0.34
▸ AOC3 Q16853 1/20 0.34
▸ HTR2C P28335 2/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ NCOR2 Q9Y618 1/20 0.34

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
SCHEMBL22367281 0.86 CHRNB2 (0.40) L3MBTL1SLC6A9CHRNB2CHRNA4AOC3
SCHEMBL19564591 0.84 RIPK1 (0.40) L3MBTL1GPR88NPSR1SLC6A9HTR2C
SCHEMBL21747667 0.84 RIPK1 (0.40) L3MBTL1GPR88NPSR1SLC6A9HTR2C
SCHEMBL21102737 0.83 NPSR1 (0.40) L3MBTL1GPR88NPSR1SLC6A9GBA1
SCHEMBL20622322 0.82 SLC6A9 (0.37) L3MBTL1GPR88SLC6A9HTR2CSLC6A4
SCHEMBL30439007 0.82 OPRK1 (0.38) L3MBTL1GPR88SLC6A9AOC3HTR2C
SCHEMBL30438319 0.79 BACE1 (0.38) GPR88
SCHEMBL30438293 0.78 AURKA (0.46) —
SCHEMBL15827696 0.77 SLC6A9 (0.50) SLC6A9SLC6A4
SCHEMBL20622324 0.76 LIPG (0.36) L3MBTL1GPR88HTR2CSLC6A4

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 L3MBTL1 4623/4885GPR88 685/4885NPSR1 504/4885

“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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