SCHEMBL23638947

SCHEMBL23638947

CC(C)O[C@H]1CC[C@H](c2cccc(OC(F)(F)F)c2)C[C@@H]1N(C)C

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.48
FFAR1 O14842 1/20 0.39
CETP P11597 5/20 0.36
MGLL Q99685 2/20 0.36
HCRTR2 O43614 2/20 0.36
EPHX1 P07099 1/20 0.35
PIM1 P11309 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
SCHEMBL20063500 0.84 SCN9A (0.47) SCN9A
SCHEMBL23140809 0.82 SCN9A (0.48) SCN9AFFAR1CETPMGLLHCRTR2
SCHEMBL23638940 0.82 SCN9A (0.51) SCN9AFFAR1HCRTR2
SCHEMBL23638885 0.81 SCN9A (0.42) SCN9ACETP
SCHEMBL23638884 0.81 SCN9A (0.34) SCN9ACETP
SCHEMBL23638939 0.81 SCN9A (0.48) SCN9AFFAR1CETPMGLLHCRTR2
SCHEMBL23639104 0.80 SLC6A2 (0.40) SCN9A
SCHEMBL20063488 0.79 SCN9A (0.53) SCN9AHCRTR2
SCHEMBL20096086 0.78 SCN9A (0.42) SCN9AFFAR1CETPMGLLHCRTR2
SCHEMBL20096261 0.78 SCN9A (0.42) SCN9AFFAR1CETPMGLLHCRTR2

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 34/4885FFAR1 1643/4885CETP 4710/4885

“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.