SCHEMBL23639043

SCHEMBL23639043

CN(C)[C@@H]1CCC[C@H](c2cc(Cl)cc(C(F)(F)F)c2)C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.38
SLC6A4 P31645 2/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
NOTUM Q6P988 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32
TACR1 P25103 2/20 0.32
ACLY P53396 1/20 0.32
KCNH2 Q12809 1/20 0.32
PTPN5 P54829 1/20 0.32
TACR2 P21452 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
SCHEMBL21312030 1.00 SCN9A (0.38) SCN9ASLC6A4HTR2AHTR2CHTR2B
SCHEMBL21311629 0.90 HTR1A (0.38) SCN9ASLC6A4HTR2AHTR2CHTR2B
SCHEMBL20096214 0.86 SLC6A4 (0.40) SLC6A4HTR2AHTR2CHTR2BHRH3
SCHEMBL20095511 0.86 SLC6A4 (0.40) SLC6A4HTR2AHTR2CHTR2BHRH3
SCHEMBL15516386 0.85 NOTUM (0.41) HTR2CGABRA2GABRB2NOTUMRAPGEF4
SCHEMBL21311815 0.84 SCN9A (0.36) SCN9ASLC6A4HTR2AHTR2CHTR2B
SCHEMBL21311682 0.82 SLC6A4 (0.36) SCN9ASLC6A4HTR2AHTR2CHTR2B
SCHEMBL20095682 0.80 HTR2C (0.49) HTR2AHTR2CHTR2BHRH3
SCHEMBL20095685 0.80 HTR2C (0.49) HTR2AHTR2CHTR2BHRH3
SCHEMBL20095962 0.80 HTR2C (0.49) HTR2AHTR2CHTR2BHRH3

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 309/4885HTR2A 1421/4885

“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.