SCHEMBL184153

SCHEMBL184153

O=C1[C@@H](N2CCc3cc(Cl)c(Cl)cc3C2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 8/20 0.50
SCN1A P35498 5/20 0.50
SCN9A Q15858 9/20 0.49
KMT2A Q03164 1/20 0.49
SCN5A Q14524 4/20 0.47
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2C9 P11712 1/20 0.43
EDNRA P25101 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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 1.00 SCN8A (0.50) SCN8ASCN1ASCN9AKMT2ASCN5A
SCHEMBL10067652 0.94 SCN9A (0.48) SCN8ASCN1ASCN9AKMT2ASCN5A
SCHEMBL1603705 0.92 SCN9A (0.49) SCN8ASCN1ASCN9AKMT2ASCN5A
SCHEMBL1603703 0.92 SCN9A (0.49) SCN8ASCN1ASCN9AKMT2ASCN5A
SCHEMBL2626281 0.90 KMT2A (0.52) SCN8ASCN1ASCN9AKMT2ASCN5A
SCHEMBL2625943 0.88 KMT2A (0.47) SCN8ASCN1ASCN9AKMT2ASCN5A
SCHEMBL2626538 0.88 SCN9A (0.49) SCN8ASCN1ASCN9AKMT2ASCN5A
SCHEMBL184272 0.86 SCN9A (0.47) SCN9AKMT2ASCN5ACYP2C9
SCHEMBL184273 0.86 SCN9A (0.47) SCN9AKMT2ASCN5ACYP2C9
SCHEMBL2625908 0.86 KMT2A (0.55) SCN8ASCN1ASCN9AKMT2ASCN5A

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 10 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-8097636-B2 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-17 US disclosed
US-8097636-B2 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-17 US disclosed
EP-2220080-B1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2012-01-04 EP disclosed
EP-2220080-A2 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Incorporated (US) 2010-08-25 EP disclosed
WO-2009064752-A2 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-05-22 WO disclosed
WO-2009064752-A2 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-05-22 WO disclosed
US-20090124655-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-14 US disclosed
US-20090124655-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-14 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 SCN8A 99/4885SCN1A 65/4885SCN9A 125/4885

“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.