SCHEMBL10067652

SCHEMBL10067652

Cc1cc2c(cc1Cl)CCN([C@H]1CCN(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C1=O)C2

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.48
SCN5A Q14524 4/20 0.48
SCN8A Q9UQD0 6/20 0.47
SCN1A P35498 5/20 0.47
PPIA P62937 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL184154 0.94 SCN8A (0.50) SCN9ASCN5ASCN8ASCN1AKMT2A
SCHEMBL184153 0.94 SCN8A (0.50) SCN9ASCN5ASCN8ASCN1AKMT2A
SCHEMBL1603703 0.88 SCN9A (0.49) SCN9ASCN5ASCN8ASCN1AKMT2A
SCHEMBL1603705 0.88 SCN9A (0.49) SCN9ASCN5ASCN8ASCN1AKMT2A
SCHEMBL2626281 0.86 KMT2A (0.52) SCN9ASCN5ASCN8ASCN1AKMT2A
SCHEMBL2625943 0.85 KMT2A (0.47) SCN9ASCN5ASCN8ASCN1AKMT2A
SCHEMBL2626538 0.83 SCN9A (0.49) SCN9ASCN5ASCN8ASCN1AKMT2A
SCHEMBL184272 0.83 SCN9A (0.47) SCN9ASCN5AKMT2A
SCHEMBL184273 0.83 SCN9A (0.47) SCN9ASCN5AKMT2A
SCHEMBL2625908 0.82 KMT2A (0.55) SCN9ASCN5ASCN8ASCN1AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097636-B2 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-17 US disclosed
US-20090124655-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-14 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-20090124655-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, KCNN3 SCN9A 125/4885SCN5A 60/4885SCN8A 99/4885

“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.