SCHEMBL3322151

SCHEMBL3322151

O=S(=O)(c1ccccc1)c1ccc(N2CCNCC2)cn1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.68
CHRNB2 P17787 1/20 0.51
CHRNA4 P43681 1/20 0.51
HTR1A P08908 1/20 0.51
DRD2 P14416 1/20 0.51
HTR2A P28223 1/20 0.51
HTR7 P34969 1/20 0.51
DRD3 P35462 2/20 0.50

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
SCHEMBL3378968 0.95 HTR6 (0.62) HTR6CHRNB2CHRNA4
SCHEMBL6488471 0.90 CHRNB2 (0.58) HTR6CHRNB2CHRNA4
SCHEMBL3377181 0.89 HTR6 (0.55) HTR6CHRNB2CHRNA4
SCHEMBL4573254 0.82 HTR6 (1.00) HTR6
SCHEMBL18553756 0.81 HTR6 (0.62) HTR6CHRNB2CHRNA4HTR1AHTR2A
SCHEMBL4520805 0.81 CHRNB2 (0.55) HTR6CHRNB2CHRNA4
SCHEMBL4690981 0.76 HTR6 (0.61) HTR6CHRNB2CHRNA4HTR1ADRD2
SCHEMBL20485034 0.75 HTR6 (0.72) HTR6
SCHEMBL3826873 0.75 HTR6 (1.00) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL4494776 0.74 HTR6 (0.58) HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1476428-B1 PYRIDYL SULFONE DERIVATIVES AS 5-HT6 RECEPTOR LIGANDS PHARMACIA & UPJOHN CO LLC (US) 2010-11-17 EP 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 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
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-6855709-B2 Pyridyl sulfone derivatives PHARMACIA & UPJOHN COMPANY (US) 2005-02-15 US claimed
US-20030186968-A1 Pyridyl sulfone derivatives PHARMACIA & UPJOHN COMPANY 2003-10-02 US claimed
EP-1476428-B1 PYRIDYL SULFONE DERIVATIVES AS 5-HT6 RECEPTOR LIGANDS PHARMACIA & UPJOHN CO LLC (US) 2010-11-17 EP disclosed
EP-1476428-B1 PYRIDYL SULFONE DERIVATIVES AS 5-HT6 RECEPTOR LIGANDS PHARMACIA & UPJOHN CO LLC (US) 2010-11-17 EP 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
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
CN-101500611-A Combination of a cholinesterase inhibitor and a compound with 5-HT6 receptor affinity ESTEVE LABOR DR (ES) 2009-08-05 CN disclosed
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 disclosed
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 disclosed
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 disclosed
US-6855709-B2 Pyridyl sulfone derivatives PHARMACIA & UPJOHN COMPANY (US) 2005-02-15 US disclosed
EP-1476428-A1 PYRIDYL SULFONE DERIVATIVES AS 5-HT6 RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2004-11-17 EP disclosed
US-20030186968-A1 Pyridyl sulfone derivatives PHARMACIA & UPJOHN COMPANY 2003-10-02 US disclosed
WO-2003072548-A1 PYRIDYL SULFONE DERIVATIVES AS 5-HT RECEPTOR ANTAGONISTS PHARMACIA & UPJOHN COMPANY (US) 2003-09-04 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-20030186968-A1 Pyridyl sulfone derivatives HTR6, TPH1, HTR1A HTR6 1/4885CHRNB2 589/4885CHRNA4 492/4885
US-20100120747-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY HTR6, AANAT, ACHE HTR6 1/4885CHRNB2 78/4885CHRNA4 56/4885

“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.