SCHEMBL6979282

SCHEMBL6979282

CN1CCN(c2cc(NS(=O)(=O)c3ccc(Br)cc3)cc3c2OCC3)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.60
HTR2A P28223 3/20 0.60
HTR2C P28335 3/20 0.60
DRD3 P35462 3/20 0.60
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 2/20 0.60
CYP2D6 P10635 2/20 0.60
DRD2 P14416 2/20 0.60
CYP2C19 P33261 2/20 0.60
HTR1A P08908 2/20 0.60
HTR7 P34969 2/20 0.60
HTR1D P28221 1/20 0.60
HTR1B P28222 1/20 0.60
HTR1E P28566 1/20 0.60
HTR1F P30939 1/20 0.60
ADRA1B P35368 1/20 0.60
HTR2B P41595 1/20 0.60
HTR4 Q13639 1/20 0.60
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 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
SCHEMBL6981615 0.89 HTR6 (0.54) HTR6HTR2AHTR2CDRD3CYP1A2
SCHEMBL6974064 0.88 HTR6 (0.55) HTR6HTR2AHTR2CDRD3CYP1A2
SCHEMBL7086874 0.85 HTR6 (0.59) HTR6HTR2AHTR2CDRD3HTR1A
SCHEMBL6975641 0.84 HTR6 (0.62) HTR6HTR2AHTR2CDRD3CYP1A2
SCHEMBL6980473 0.80 HTR6 (0.58) HTR6ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL6980766 0.79 HTR6 (0.64) HTR6HTR2AHTR2CDRD3CYP1A2
SCHEMBL6973981 0.79 HTR6 (0.59) HTR6HTR2AHTR2CDRD3CYP1A2
SCHEMBL6978521 0.78 HTR6 (0.61) HTR6HTR2AHTR2CDRD3CYP1A2
SCHEMBL6980962 0.78 HTR6 (0.64) HTR6HTR2CDRD3DRD2ALDH1A1
SCHEMBL6974117 0.78 HTR6 (0.62) HTR6HTR2AHTR2CDRD3CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946539-B1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 2003-08-13 EP claimed
US-20030069233-A1 Sulphonamide derivatives, process for their preparation, and their use as medicaments SMITHKLINE BEECHAM P.L.C. 2003-04-10 US claimed
CN-1246116-A Sulfonamide derivatives, process for their preparation and their use as medicaments SMITHKLINE BEECHAM PLC (GB) 2000-03-01 CN claimed
EP-0946539-A1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1999-10-06 EP claimed
WO-1998027081-A1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1998-06-25 WO claimed
EP-0946539-B1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 2003-08-13 EP disclosed
US-6599904-B2 5-HT6 receptor antagonists are believed to be of potential use in the treatment of certain CNS disorders; cognitive memory enhancement SMITHKLINE BEECHAM P.L.C. (GB) 2003-07-29 US disclosed
US-6423717-B1 NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-23 US disclosed
CN-1246116-A Sulfonamide derivatives, process for their preparation and their use as medicaments SMITHKLINE BEECHAM PLC (GB) 2000-03-01 CN disclosed
EP-0946539-A1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1999-10-06 EP disclosed
WO-1998027081-A1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1998-06-25 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 (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-20030069233-A1 Sulphonamide derivatives, process for their preparation, and their use as medicaments TPMT, MPST, STS HTR6 1537/4885HTR2A 2935/4885HTR2C 3448/4885

“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.