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SCHEMBL12782801

SCHEMBL12782801

Cc1ccc(OCC(=O)N2CCc3ccc(S(=O)(=O)Nc4nccs4)cc3C2)c(C)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.58
▸ KMT2A Q03164 7/20 0.58
▸ SCN3A Q9NY46 1/20 0.52
▸ SCN9A Q15858 6/20 0.46
▸ SCN8A Q9UQD0 2/20 0.46
▸ SCN1B Q07699 1/20 0.46
▸ SCN1A P35498 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ RAB9A P51151 1/20 0.45
▸ NOTUM Q6P988 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ KCNA5 P22460 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL12782840 0.89 SCN3A (0.62) MEN1KMT2ASCN3ASCN8ASCN1B
SCHEMBL12782972 0.86 SCN3A (0.70) MEN1KMT2ASCN3ASCN9ASCN8A
SCHEMBL12783343 0.85 SCN3A (0.55) SCN3ASCN9ASCN8ASCN1BSCN1A
SCHEMBL12782783 0.84 SCN3A (0.62) MEN1KMT2ASCN3ASCN9ASCN8A
SCHEMBL12782829 0.83 SCN3A (0.62) MEN1KMT2ASCN3ASCN9ASCN8A
SCHEMBL12783349 0.82 SCN3A (0.60) SCN3ASCN8ASCN1BALDH1A1PKM
SCHEMBL12783293 0.81 SCN3A (0.48) SCN3ASCN9ASCN8ASCN1BSCN1A
SCHEMBL12782944 0.81 SCN3A (0.62) SCN3ASCN9ASCN8ASCN1BALDH1A1
SCHEMBL12845646 0.79 SCN3A (0.55) MEN1KMT2ASCN3ASCN9ASCN8A
SCHEMBL12783443 0.79 PKM (0.58) MEN1KMT2ASCN3ASCN9ASCN8A

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
US-8362032-B2 Bicyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-29 — — US disclosed
US-8362032-B2 Bicyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-29 — — US disclosed
US-20110059965-A1 BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 — — US disclosed
US-20110059965-A1 BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 — — US disclosed
US-7786137-B2 Bicyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 — — US disclosed
US-7786137-B2 Bicyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 — — US disclosed
US-20090012117-A1 Bicyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2009-01-08 — — US disclosed
US-20090012117-A1 Bicyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2009-01-08 — — 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 (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-20090012117-A1 Bicyclic derivatives as modulators of ion channels CACNA1C, CACNA1B, CACNA1D MEN1 4280/4885KMT2A 3433/4885SCN3A 17/4885
US-20110059965-A1 BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS CACNA1C, CACNA1B, CACNA1D MEN1 4280/4885KMT2A 3433/4885SCN3A 17/4885

“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.