SCHEMBL3148392

SCHEMBL3148392

COc1cccc2c1N(C1CCN(S(=O)(=O)c3sc4ccc(Cl)cc4c3C)CC1)C(=O)OC2

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.74
HTR1A P08908 6/20 0.42
DRD2 P14416 6/20 0.42
HTR1D P28221 6/20 0.42
HTR1B P28222 6/20 0.42
ADRA1B P35368 6/20 0.42
DRD3 P35462 6/20 0.42
HTR2A P28223 5/20 0.42
HTR2B P41595 5/20 0.42
HTR2C P28335 5/20 0.42
HTR7 P34969 5/20 0.42
HTR4 Q13639 5/20 0.42
HTR1E P28566 3/20 0.42
HTR1F P30939 3/20 0.42
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
CYP1A2 P05177 1/20 0.39
ADRB1 P08588 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADRA2A P08913 1/20 0.39

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
SCHEMBL3138831 0.90 HTR6 (0.79) HTR6
SCHEMBL4151353 0.85 HTR6 (1.00) HTR6
SCHEMBL3143100 0.83 HTR6 (0.87) HTR6
SCHEMBL3153062 0.82 HTR6 (0.61) HTR6ADRA1B
SCHEMBL3152523 0.82 HTR6 (0.80) HTR6DRD2HTR2AHTR7
SCHEMBL3154616 0.81 HTR6 (0.83) HTR6
SCHEMBL3147230 0.81 HTR6 (0.80) HTR6
SCHEMBL3152665 0.81 HTR6 (0.64) HTR6
SCHEMBL3261218 0.81 HTR6 (0.79) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL3147243 0.80 HTR6 (0.80) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648886-B1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS ESTEVE LABOR DR (ES) 2009-12-09 EP claimed
US-20070032482-A1 Benzoxazinone-derived sulfonamide compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-02-08 US claimed
US-20120128768-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE S.A (ES) 2012-05-24 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-20100074955-A1 Combination of NMDA-Receptor Ligand and a Compound With 5-HT6 Receptor Affinity LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-03-25 US disclosed
EP-1648886-B1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS ESTEVE LABOR DR (ES) 2009-12-09 EP disclosed
EP-2081600-A1 COMBINATION OF NMDA- RECEPTOR LIGAND AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-07-29 EP disclosed
EP-1660131-B1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY ESTEVE LABOR DR (ES) 2009-06-24 EP disclosed
EP-1648468-B1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY ESTEVE LABOR DR (ES) 2008-09-24 EP disclosed
WO-2008034815-A1 COMBINATION OF NMDA- RECEPTOR LIGAND AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-03-27 WO disclosed
EP-1902733-A1 Combination of a NMDA-receptor ligand and a compound with 5-HT6 receptor affinity LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-03-26 EP disclosed
US-20070059364-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-03-15 US disclosed
US-20070032482-A1 Benzoxazinone-derived sulfonamide compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-02-08 US disclosed
US-20070009597-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-01-11 US 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 (6 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-20070059364-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity HTR6, NPY5R, NPY2R HTR6 1/4885HTR1A 12/4885DRD2 212/4885
US-20070032482-A1 Benzoxazinone-derived sulfonamide compounds, their preparation and use as medicaments HTR6, HTR5A, P2RX6 HTR6 1/4885HTR1A 8/4885DRD2 737/4885
US-20100120747-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY HTR6, AANAT, ACHE HTR6 1/4885HTR1A 11/4885DRD2 272/4885
US-20120128768-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY HTR6, NPY5R, NPY2R HTR6 1/4885HTR1A 12/4885DRD2 212/4885
US-20100074955-A1 Combination of NMDA-Receptor Ligand and a Compound With 5-HT6 Receptor Affinity GRM6, GRIN3B, GRIN3A HTR6 4/4885HTR1A 20/4885DRD2 124/4885
US-20070009597-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity NPY5R, HTR6, NPY2R HTR6 2/4885HTR1A 18/4885DRD2 309/4885

“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.