SCHEMBL23638877

SCHEMBL23638877

CC(C)O[C@H]1CC[C@H](c2ccc(F)c(C(F)(F)F)c2)C[C@@H]1N(C)C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 14/20 0.41
FFAR1 O14842 1/20 0.36
POLQ O75417 1/20 0.34
TACR1 P25103 3/20 0.34
ADRA2A P08913 1/20 0.34
CHRNB2 P17787 1/20 0.34
ADRA2C P18825 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
TMEM97 Q5BJF2 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
SCHEMBL23638882 0.88 POLQ (0.36) SCN9APOLQTACR1
SCHEMBL23638876 0.81 SCN9A (0.47) SCN9AFFAR1TACR1CHRNB2CHRNB4
SCHEMBL20063500 0.80 SCN9A (0.47) SCN9A
SCHEMBL23638874 0.79 SCN9A (0.40) SCN9ACHRNB2CHRNA4
SCHEMBL23638879 0.78 SCN9A (0.40) SCN9ATACR1
SCHEMBL21311624 0.77 ADRA2A (0.39) SCN9APOLQADRA2ACHRNB2ADRA2C
SCHEMBL23638881 0.77 SCN9A (0.35) SCN9ATACR1
SCHEMBL23639056 0.77 SCN9A (0.43) SCN9A
SCHEMBL23638892 0.76 SCN9A (0.40) SCN9A
SCHEMBL23639107 0.76 SCN9A (0.44) SCN9APOLQ

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 1643/4885POLQ 4845/4885

“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.