SCHEMBL20088469

SCHEMBL20088469

CN[C@H](CC(C)C)C(=O)NC(C)(C)c1cc(C)cc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 5/20 0.49
▸ CACNA1B Q00975 7/20 0.40
▸ TP53 P04637 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ CTSL P07711 1/20 0.37
▸ PSEN1 P49768 1/20 0.37
▸ PSEN2 P49810 1/20 0.37
▸ APH1B Q8WW43 1/20 0.37
▸ NCSTN Q92542 1/20 0.37
▸ APH1A Q96BI3 1/20 0.37
▸ PSENEN Q9NZ42 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ TAS1R3 Q7RTX0 1/20 0.36
▸ TAS1R1 Q7RTX1 1/20 0.36

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
SCHEMBL15844454 0.96 SCN9A (0.52) SCN9ACACNA1BTP53CNR2CTSL
SCHEMBL15844455 0.96 SCN9A (0.52) SCN9ACACNA1BTP53CNR2CTSL
SCHEMBL20088467 0.90 SCN9A (0.40) SCN9ATP53CNR2CTSLPSEN1
SCHEMBL20088465 0.85 SCN9A (0.54) SCN9ACACNA1BPSEN1PSEN2APH1B
SCHEMBL15844873 0.84 SCN9A (0.42) SCN9ATP53CNR2CTSLPSEN1
SCHEMBL15844874 0.84 SCN9A (0.42) SCN9ATP53CNR2CTSLPSEN1
SCHEMBL15843982 0.79 SCN9A (0.58) SCN9ACACNA1BPSEN1PSEN2APH1B
SCHEMBL15843983 0.79 SCN9A (0.58) SCN9ACACNA1BPSEN1PSEN2APH1B
SCHEMBL20088471 0.79 SCN9A (0.54) SCN9ACACNA1BCTSL
SCHEMBL20088353 0.79 SCN9A (0.54) SCN9ACACNA1BCTSL

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-20180111894-A1 Benzimidazole Inhibitors of the Sodium Channel DeGiacomo, Mark G. (US) 2018-04-26 — — 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-20180111894-A1 Benzimidazole Inhibitors of the Sodium Channel SCN1A, KCNJ11, KCNJ1 SCN9A 52/4885CACNA1B 25/4885TP53 4747/4885

“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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