SCHEMBL23638876

SCHEMBL23638876

CC(C)O[C@H]1CC[C@H](c2cc(C(F)(F)F)ccc2F)C[C@@H]1N(C)C

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 11/20 0.47
PDE2A O00408 1/20 0.37
TACR1 P25103 2/20 0.36
FFAR1 O14842 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CHRNB2 P17787 2/20 0.34
CHRNA4 P43681 2/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 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
SCHEMBL23639105 0.88 SCN9A (0.49) SCN9APDE2AFFAR1SLC6A2SLC6A4
SCHEMBL20063500 0.81 SCN9A (0.47) SCN9A
SCHEMBL23638877 0.81 SCN9A (0.41) SCN9ATACR1FFAR1CHRNB2CHRNA4
SCHEMBL23140998 0.80 SCN9A (0.45) SCN9APDE2ACHRNB2CHRNA4CHRNB4
SCHEMBL23638874 0.78 SCN9A (0.40) SCN9ASLC6A2SLC6A4CHRNB2CHRNA4
SCHEMBL23638893 0.78 SCN9A (0.40) SCN9ASLC6A4CHRNB2CHRNA4CHRNB4
SCHEMBL23638879 0.77 SCN9A (0.40) SCN9ATACR1
SCHEMBL21311721 0.76 SLC6A4 (0.41) SCN9ASLC6A2SLC6A4SLC6A3CHRNB2
SCHEMBL23638881 0.76 SCN9A (0.35) SCN9ATACR1
SCHEMBL23639021 0.75 SCN9A (0.38) SCN9ASLC6A2SLC6A4CHRNB2CHRNA4

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 34/4885PDE2A 958/4885TACR1 324/4885

“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.