SCHEMBL20166766

SCHEMBL20166766

NC1CCN(CCCCNc2cc(F)c(S(=O)(=O)Nc3nccs3)cc2Cl)CC1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 12/20 0.72
SCN5A Q14524 11/20 0.72
CYP3A4 P08684 9/20 0.72
SCN1A P35498 1/20 0.63

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
SCHEMBL20167434 0.97 SCN9A (0.68) SCN9ASCN5ACYP3A4SCN1A
SCHEMBL20167338 0.95 SCN9A (0.67) SCN9ASCN5ACYP3A4SCN1A
SCHEMBL20168063 0.95 SCN9A (0.67) SCN9ASCN5ACYP3A4SCN1A
SCHEMBL20167470 0.92 SCN9A (0.70) SCN9ASCN5ACYP3A4SCN1A
SCHEMBL20167191 0.90 SCN9A (0.65) SCN9ASCN5ACYP3A4SCN1A
SCHEMBL20168224 0.90 SCN9A (0.65) SCN9ASCN5ACYP3A4SCN1A
SCHEMBL20167858 0.89 SCN5A (0.65) SCN9ASCN5ACYP3A4SCN1A
SCHEMBL20167268 0.89 SCN9A (0.68) SCN9ASCN5ACYP3A4SCN1A
SCHEMBL20167928 0.87 SCN9A (0.66) SCN9ASCN5ACYP3A4SCN1A
SCHEMBL18983136 0.87 SCN9A (0.65) SCN9ASCN5ACYP3A4SCN1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541373-B1 DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME LLC (US) 2023-11-01 EP claimed
US-10968210-B2 Diamino-alkylamino-linked arylsulfonamide compounds with selective activity in voltage-gated sodium channels MERCK SHARP & DOHME CORP. (US) 2021-04-06 US claimed
US-20200131167-A1 DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2020-04-30 US claimed
EP-3541373-A1 DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS Merck Sharp & Dohme Corp. (US) 2019-09-25 EP claimed
WO-2018093694-A1 DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2018-05-24 WO claimed
EP-3541373-B1 DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME LLC (US) 2023-11-01 EP disclosed
US-10968210-B2 Diamino-alkylamino-linked arylsulfonamide compounds with selective activity in voltage-gated sodium channels MERCK SHARP & DOHME CORP. (US) 2021-04-06 US disclosed
US-10968210-B2 Diamino-alkylamino-linked arylsulfonamide compounds with selective activity in voltage-gated sodium channels MERCK SHARP & DOHME CORP. (US) 2021-04-06 US disclosed
US-20200131167-A1 DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2020-04-30 US disclosed
US-20200131167-A1 DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2020-04-30 US disclosed
EP-3541373-A1 DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS Merck Sharp & Dohme Corp. (US) 2019-09-25 EP disclosed
WO-2018093694-A1 DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2018-05-24 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 (2 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-10968210-B2 Diamino-alkylamino-linked arylsulfonamide compounds with selective activity in voltage-gated sodium channels TRPV1, SCN1A, SCN7A SCN9A 5/4885SCN5A 17/4885CYP3A4 3449/4885
US-20200131167-A1 DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS TRPV1, SCN1A, SCN7A SCN9A 5/4885SCN5A 17/4885CYP3A4 3449/4885

“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.