SCHEMBL21825339

SCHEMBL21825339

CC(C)(C)OC(=O)c1cc(C2CC2)c(CN2[C@@H]3CC[C@H]2CC(O)C3)cc1F

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 12/20 0.45
▸ CHRM2 P08172 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ KMT2A Q03164 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ DPP4 P27487 1/20 0.34
▸ GPR119 Q8TDV5 2/20 0.33
▸ OPRM1 P35372 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ SCN5A Q14524 2/20 0.32
▸ SCN7A Q01118 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
SCHEMBL17061856 1.00 SCN9A (0.45) SCN9ACHRM2CHRM1CHRM3KMT2A
SCHEMBL17061857 1.00 SCN9A (0.45) SCN9ACHRM2CHRM1CHRM3KMT2A
SCHEMBL17069401 1.00 SCN9A (0.45) SCN9ACHRM2CHRM1CHRM3KMT2A
SCHEMBL17062393 0.88 SCN9A (0.49) SCN9AGPR119SCN5ASCN7A
SCHEMBL17062394 0.88 SCN9A (0.49) SCN9AGPR119SCN5ASCN7A
SCHEMBL16771146 0.88 SCN9A (0.49) SCN9AGPR119SCN5ASCN7A
SCHEMBL16758838 0.84 SCN9A (0.40) SCN9ADPP4SCN5ASCN7A
SCHEMBL17061699 0.84 SCN9A (0.67) SCN9AOPRM1OPRD1SCN5ASCN7A
SCHEMBL16771193 0.84 SCN9A (0.67) SCN9AOPRM1OPRD1SCN5ASCN7A
SCHEMBL16771014 0.84 SCN9A (0.67) SCN9AOPRM1OPRD1SCN5ASCN7A

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-20200108054-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-09 — — 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-20200108054-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, SULT2A1 SCN9A 1605/4885CHRM2 439/4885CHRM1 665/4885

“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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