SCHEMBL3320100

SCHEMBL3320100

O=S(=O)(c1ccccc1)c1ccc(Cl)c(N2CCNCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.62
ADRB1 P08588 1/20 0.55
HTR1A P08908 1/20 0.53
DRD2 P14416 1/20 0.53
HTR2A P28223 1/20 0.53
HTR7 P34969 1/20 0.53
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49

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
SCHEMBL6277566 0.81 LMNA (0.45)
SCHEMBL18553755 0.81 HTR6 (0.62) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL29461939 0.81 HTR6 (0.62) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL4659557 0.80 HTR6 (0.62) HTR6ADRB1DRD2
SCHEMBL4573254 0.77 HTR6 (1.00) HTR6ADRB1CHRM2CHRM1
SCHEMBL9903630 0.77 HTR6 (0.64) HTR6ADRB1HTR1ADRD2HTR2A
SCHEMBL3826873 0.77 HTR6 (1.00) HTR6ADRB1HTR1ADRD2HTR2A
SCHEMBL4658341 0.76 HTR6 (0.72) HTR6HTR1AHTR7HTR2CHTR2B
SCHEMBL3826762 0.75 HTR6 (0.76) HTR6ADRB1HTR1ADRD2HTR2A
SCHEMBL3796417 0.75 HTR6 (1.00) HTR6HTR1ADRD2HTR2AHTR7

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120747-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-05-13 US claimed
EP-1608635-B1 PHENYL SULFONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CNS DISORDERS GLAXO GROUP LTD (GB) 2009-09-16 EP claimed
CN-101500611-A Combination of a cholinesterase inhibitor and a compound with 5-HT6 receptor affinity ESTEVE LABOR DR (ES) 2009-08-05 CN claimed
EP-2040755-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-04-01 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
WO-2007147883-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-12-27 WO 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
US-20100120747-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-05-13 US disclosed
US-20100120747-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-05-13 US disclosed
US-20100120747-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-05-13 US disclosed
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-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 269/4885ADRB1 1870/4885HTR1A 717/4885
US-20080214571-A1 NOVEL COMPOUNDS NPSR1, GABRE, HTR2B HTR6 4/4885ADRB1 171/4885HTR1A 9/4885
US-20100120747-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY HTR6, AANAT, ACHE HTR6 1/4885ADRB1 213/4885HTR1A 11/4885
US-20060281757-A1 Phenyl sulfone derivatives and their use in the treatment of cns disorders PMP22, SNCA, SLC6A3 HTR6 105/4885ADRB1 1152/4885HTR1A 165/4885

“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.