SCHEMBL3243877

SCHEMBL3243877

CC(=O)Nc1cccc(Nc2ncnc(N3CCc4cc(OC(F)(F)F)ccc4C3)n2)c1C

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 20/20 0.68
▸ SCN5A Q14524 5/20 0.68
▸ KCNH2 Q12809 4/20 0.68
▸ SCN4A P35499 1/20 0.63
▸ SCN3A Q9NY46 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
SCHEMBL3244984 0.92 SCN9A (0.66) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL3239082 0.91 SCN9A (0.61) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL3247845 0.91 SCN9A (0.78) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL3118534 0.89 SCN9A (0.68) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL3240652 0.89 SCN9A (0.60) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL3240647 0.89 SCN9A (0.60) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL3253423 0.88 SCN9A (0.58) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL3242606 0.87 SCN9A (0.67) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL3239650 0.87 SCN9A (0.77) SCN9ASCN5AKCNH2
SCHEMBL3246906 0.87 SCN9A (0.63) SCN9ASCN5AKCNH2SCN4ASCN3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 — — WO claimed
US-20160089375-A1 TOPICAL OCULAR ANALGESIC AGENTS NOVARTIS AG (CH) 2016-03-31 — — US disclosed
US-9187468-B2 Topical ocular analgesic agents NOVARTIS AG (CH) 2015-11-17 — — US disclosed
WO-2014127116-A1 TOPICAL OCULAR ANALGESIC AGENTS NOVARTIS AG (CH) 2014-08-21 — — WO disclosed
US-20140228338-A1 TOPICAL OCULAR ANALGESIC AGENTS NOVARTIS AG (CH) 2014-08-14 — — US disclosed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 — — 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-20160089375-A1 TOPICAL OCULAR ANALGESIC AGENTS OPRK1, OPRL1, QDPR SCN9A 1714/4885SCN5A 347/4885KCNH2 796/4885
US-20140228338-A1 TOPICAL OCULAR ANALGESIC AGENTS PDE6C, PDE6A, PDE6H SCN9A 1931/4885SCN5A 207/4885KCNH2 486/4885

“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.

Send feedback