SCHEMBL23638874

SCHEMBL23638874

CC(C)O[C@H]1CC[C@H](c2cccc(C(F)(F)F)c2F)C[C@@H]1N(C)C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 13/20 0.40
SLC6A4 P31645 3/20 0.36
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 2/20 0.32
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31

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
SCHEMBL23639021 0.90 SCN9A (0.38) SCN9ASLC6A4CHRNB2CHRNA4SLC6A2
SCHEMBL23638877 0.79 SCN9A (0.41) SCN9ACHRNB2CHRNA4
SCHEMBL23639020 0.79 SCN9A (0.39) SCN9ASLC6A4CHRNB2CHRNA4HTR2C
SCHEMBL23638876 0.78 SCN9A (0.47) SCN9ASLC6A4CHRNB2CHRNA4SLC6A2
SCHEMBL20063500 0.78 SCN9A (0.47) SCN9AHTR2C
SCHEMBL23638882 0.77 POLQ (0.36) SCN9A
SCHEMBL23638891 0.76 IDO1 (0.39) IDO1
SCHEMBL23638947 0.76 SCN9A (0.48) SCN9A
SCHEMBL21311660 0.76 SLC6A4 (0.45) SCN9ASLC6A4CHRNB2CHRNA4SLC6A2
SCHEMBL23639105 0.75 SCN9A (0.49) SCN9ASLC6A4CHRNB2CHRNA4SLC6A2

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-20210214336-A1 PYRIDINE-SULFONAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS GENENTECH, INC. (US) 2021-07-15 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-20210214336-A1 PYRIDINE-SULFONAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS SCN1B, CACNA1A, SCN1A SCN9A 34/4885SLC6A4 309/4885CHRNB2 561/4885

“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.