SCHEMBL2075121

SCHEMBL2075121

O=C(c1ccc(Cl)cc1Cl)N1CCc2cc(S(=O)(=O)Nc3nccs3)ccc21

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 1/20 0.58
GPR27 Q9NS67 1/20 0.58
SCN3A Q9NY46 1/20 0.58
PTPN11 Q06124 1/20 0.54
SCN9A Q15858 13/20 0.53
SCN5A Q14524 7/20 0.53
SCN1B Q07699 1/20 0.52
SCN8A Q9UQD0 1/20 0.52
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
USP2 O75604 1/20 0.47
MAPT P10636 1/20 0.47
ESR2 Q92731 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL12783140 0.93 SCN3A (0.58) AVPR2GPR27SCN3ASCN9ASCN5A
SCHEMBL11947873 0.90 SCN3A (0.59) SCN3ASCN9ASCN5ASCN1BSCN8A
SCHEMBL12782935 0.86 SCN3A (0.58) SCN3APTPN11SCN9ASCN5ASCN1B
SCHEMBL2078260 0.85 AVPR2 (0.58) AVPR2GPR27SCN3ASCN9ASCN5A
SCHEMBL12783073 0.85 SCN3A (0.59) SCN3APTPN11SCN9ASCN5ASCN1B
SCHEMBL12783042 0.83 SCN3A (0.57) SCN3ASCN9ASCN5ASCN1BSCN8A
SCHEMBL12782746 0.82 SCN3A (0.61) SCN3ASCN9ASCN5ASCN1BSCN8A
SCHEMBL12783181 0.82 SCN3A (0.65) SCN3ASCN9ASCN5ASCN1BSCN8A
SCHEMBL2077995 0.81 SCN3A (0.71) SCN3ASCN9ASCN5ASCN1BSCN8A
SCHEMBL12782762 0.81 SCN3A (0.61) SCN3ASCN9ASCN5ASCN1BSCN8A

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 16 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-8362032-B2 Bicyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-29 US disclosed
EP-1891063-B1 BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2012-07-25 EP disclosed
EP-1891063-B1 BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2012-07-25 EP 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-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-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
US-20090012117-A1 Bicyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2009-01-08 US disclosed
EP-1891063-A2 BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals, Inc. (US) 2008-02-27 EP disclosed
WO-2006122014-A2 BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-11-16 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-20090012117-A1 Bicyclic derivatives as modulators of ion channels CACNA1C, CACNA1B, CACNA1D AVPR2 675/4885GPR27 495/4885SCN3A 17/4885
US-20110059965-A1 BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS CACNA1C, CACNA1B, CACNA1D AVPR2 675/4885GPR27 495/4885SCN3A 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.