SCHEMBL12782840

SCHEMBL12782840

Cc1ccc(OCC(=O)N2CCc3ccc(S(=O)(=O)Nc4nccs4)cc3C2)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 2/20 0.62
ALDH1A1 P00352 4/20 0.51
PKM P14618 3/20 0.48
SCN8A Q9UQD0 2/20 0.48
SCN1B Q07699 1/20 0.48
GAA P10253 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SCN1A P35498 1/20 0.46
PPIA P62937 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
KCNA1 Q09470 1/20 0.44
KCNAB1 Q14722 1/20 0.44

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
SCHEMBL12782829 0.92 SCN3A (0.62) SCN3AALDH1A1PKMSCN8ASCN1B
SCHEMBL12782783 0.91 SCN3A (0.62) SCN3AALDH1A1PKMSCN8ASCN1B
SCHEMBL12783349 0.91 SCN3A (0.60) SCN3AALDH1A1PKMSCN8ASCN1B
SCHEMBL12782944 0.89 SCN3A (0.62) SCN3AALDH1A1PKMSCN8ASCN1B
SCHEMBL12782801 0.89 MEN1 (0.58) SCN3AALDH1A1PKMSCN8ASCN1B
SCHEMBL12783481 0.85 SCN3A (0.84) SCN3AALDH1A1PKMSCN8ASCN1B
SCHEMBL12845646 0.84 SCN3A (0.55) SCN3AALDH1A1PKMSCN8ASCN1B
SCHEMBL12845590 0.84 SCN3A (0.71) SCN3AALDH1A1PKMSCN8AMEN1
SCHEMBL12845725 0.84 SCN3A (0.59) SCN3AALDH1A1PKMSCN8ASCN1B
SCHEMBL12783443 0.84 PKM (0.58) SCN3AALDH1A1PKMSCN8ASCN1B

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 SCN3A 17/4885ALDH1A1 3507/4885PKM 2958/4885
US-20110059965-A1 BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS CACNA1C, CACNA1B, CACNA1D SCN3A 17/4885ALDH1A1 3507/4885PKM 2958/4885

“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.