SCHEMBL3826762

SCHEMBL3826762

O=S(=O)(c1ccccc1)c1cccc(N2CCNCC2)c1Cl

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.76
DRD2 P14416 3/20 0.55
DRD3 P35462 2/20 0.55
ADRB1 P08588 2/20 0.55
HTR1A P08908 2/20 0.53
HTR2A P28223 2/20 0.53
HTR7 P34969 1/20 0.53
DRD4 P21917 1/20 0.52
HTR2C P28335 1/20 0.52

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
SCHEMBL3796417 0.87 HTR6 (1.00) HTR6DRD2HTR1AHTR2AHTR7
SCHEMBL29057926 0.82 HTR6 (0.74) HTR6DRD2DRD3HTR1AHTR2A
SCHEMBL6274917 0.81 HTR6 (0.50) HTR6DRD2HTR2A
SCHEMBL28311487 0.80 HTR6 (0.71) HTR6DRD2DRD3HTR1AHTR2A
SCHEMBL4659559 0.80 HTR6 (0.71) HTR6DRD2DRD3ADRB1HTR1A
SCHEMBL30394401 0.80 HTR6 (0.71) HTR6DRD2DRD3HTR1AHTR2A
SCHEMBL28311460 0.80 HTR6 (0.71) HTR6DRD2DRD3HTR1AHTR2A
SCHEMBL5763068 0.77 HTR6 (0.64) HTR6DRD2HTR1AHTR2AHTR7
SCHEMBL5203017 0.76 HTR6 (0.77) HTR6DRD2HTR1AHTR2AHTR7
SCHEMBL29058052 0.76 HTR6 (0.58) HTR6DRD2DRD3ADRB1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608635-B1 PHENYL SULFONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CNS DISORDERS GLAXO GROUP LTD (GB) 2009-09-16 EP claimed
US-20090012099-A1 Novel Compounds GLAXO GROUP LIMITED 2009-01-08 US claimed
US-7439245-B2 e.g. 1-(3-Phenylsulfonyl-phenyl)piperazine; serotonin receptor modulator; anxiolytic agent, antidepressant, cognition activator; schizophrenia, obesity, Alzheimer's disease GLAXO GROUP LIMITED (GB) 2008-10-21 US claimed
US-20080214571-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED 2008-09-04 US claimed
US-7262188-B2 Phenyl sulfone derivatives and their use in the treatment of CNS disorders GLAXO GROUP LIMITED (GB) 2007-08-28 US claimed
US-20060281757-A1 Phenyl sulfone derivatives and their use in the treatment of cns disorders GLAXO GROUP LIMITED (GB) 2006-12-14 US claimed
EP-1608635-A1 PHENYL SULFONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2005-12-28 EP claimed
WO-2004080986-A1 PHENYL SULFONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2004-09-23 WO claimed
EP-1608635-B1 PHENYL SULFONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CNS DISORDERS GLAXO GROUP LTD (GB) 2009-09-16 EP disclosed
US-20090012099-A1 Novel Compounds GLAXO GROUP LIMITED 2009-01-08 US disclosed
US-7439245-B2 e.g. 1-(3-Phenylsulfonyl-phenyl)piperazine; serotonin receptor modulator; anxiolytic agent, antidepressant, cognition activator; schizophrenia, obesity, Alzheimer's disease GLAXO GROUP LIMITED (GB) 2008-10-21 US disclosed
US-20080214571-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED 2008-09-04 US disclosed
US-20070275979-A1 Novel Compounds GLAXOGROUP LIMITED 2007-11-29 US disclosed
US-7262188-B2 Phenyl sulfone derivatives and their use in the treatment of CNS disorders GLAXO GROUP LIMITED (GB) 2007-08-28 US disclosed
US-20060281757-A1 Phenyl sulfone derivatives and their use in the treatment of cns disorders GLAXO GROUP LIMITED (GB) 2006-12-14 US disclosed
EP-1608635-A1 PHENYL SULFONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2005-12-28 EP disclosed
WO-2004080986-A1 PHENYL SULFONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2004-09-23 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 (4 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-20090012099-A1 Novel Compounds PSEN2, PSEN1, BACE1 HTR6 269/4885DRD2 2391/4885DRD3 2963/4885
US-20080214571-A1 NOVEL COMPOUNDS NPSR1, GABRE, HTR2B HTR6 4/4885DRD2 163/4885DRD3 381/4885
US-20070275979-A1 Novel Compounds CNR2, CNR1, GRIN2C HTR6 57/4885DRD2 129/4885DRD3 161/4885
US-20060281757-A1 Phenyl sulfone derivatives and their use in the treatment of cns disorders PMP22, SNCA, SLC6A3 HTR6 105/4885DRD2 279/4885DRD3 332/4885

“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.