SCHEMBL18992201

SCHEMBL18992201

C[C@@H](CN)NCCCCNc1cc(F)c(S(=O)(=O)Nc2ncns2)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 13/20 0.58
SCN5A Q14524 11/20 0.58
CYP3A4 P08684 7/20 0.58
SCN1A P35498 3/20 0.47
SCN8A Q9UQD0 2/20 0.47

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
SCHEMBL19000935 1.00 SCN9A (0.58) SCN9ASCN5ACYP3A4SCN1ASCN8A
SCHEMBL20586569 1.00 SCN9A (0.58) SCN9ASCN5ACYP3A4SCN1ASCN8A
SCHEMBL30518259 1.00 SCN9A (0.58) SCN9ASCN5ACYP3A4SCN1ASCN8A
SCHEMBL30518279 1.00 SCN9A (0.58) SCN9ASCN5ACYP3A4SCN1ASCN8A
SCHEMBL19000820 0.94 SCN9A (0.57) SCN9ASCN5ACYP3A4SCN1ASCN8A
SCHEMBL20585511 0.94 SCN9A (0.57) SCN9ASCN5ACYP3A4SCN1ASCN8A
SCHEMBL20586196 0.89 SCN5A (0.47) SCN9ASCN5ACYP3A4SCN1ASCN8A
SCHEMBL30518241 0.89 SCN5A (0.47) SCN9ASCN5ACYP3A4SCN1ASCN8A
SCHEMBL19000829 0.89 SCN5A (0.47) SCN9ASCN5ACYP3A4SCN1ASCN8A
SCHEMBL19001204 0.89 SCN9A (0.66) SCN9ASCN5ACYP3A4SCN1ASCN8A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3389654-B1 DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME LLC (US) 2023-08-16 EP claimed
US-20180362518-A1 DIAMINO-ALKYLAMINO-Linked ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2018-12-20 US claimed
EP-3389654-B1 DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME LLC (US) 2023-08-16 EP disclosed
EP-3389654-B1 DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME LLC (US) 2023-08-16 EP disclosed
US-20180362518-A1 DIAMINO-ALKYLAMINO-Linked ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2018-12-20 US disclosed
EP-3389654-A1 DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS Merck Sharp & Dohme Corp. (US) 2018-10-24 EP disclosed
WO-2017106409-A1 DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2017-06-22 WO disclosed
WO-2017106409-A1 DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2017-06-22 WO 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-20180362518-A1 DIAMINO-ALKYLAMINO-Linked ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS TRPV1, SCN7A, SCN1A SCN9A 5/4885SCN5A 14/4885CYP3A4 4209/4885

“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.