SCHEMBL3156809

SCHEMBL3156809

O=C1OCc2cc(Cl)ccc2N1C1CCN(S(=O)(=O)c2cccc3cnccc23)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.62
ROCK2 O75116 10/20 0.52
ROCK1 Q13464 10/20 0.52
PRKD3 O94806 3/20 0.48
PRKCG P05129 3/20 0.48
PRKCB P05771 3/20 0.48
CYP3A4 P08684 3/20 0.48
PRKCA P17252 3/20 0.48
PRKCH P24723 3/20 0.48
PRKCI P41743 3/20 0.48
PRKCE Q02156 3/20 0.48
PRKCQ Q04759 3/20 0.48
PRKCZ Q05513 3/20 0.48
PRKCD Q05655 3/20 0.48
PRKD1 Q15139 3/20 0.48
ADORA3 P0DMS8 2/20 0.48
PRKACA P17612 2/20 0.48
PRKACG P22612 2/20 0.48
PRKACB P22694 2/20 0.48
KDM4E B2RXH2 1/20 0.48

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
Hydrochloric Acid SCHEMBL4397292 0.99 HTR6 (0.61) HTR6ROCK2ROCK1PRKD3PRKCG
SCHEMBL3142951 0.90 HTR6 (0.62) HTR6ROCK2ROCK1PRKD3PRKCG
SCHEMBL4399490 0.90 HTR6 (0.62) HTR6ROCK2ROCK1PRKD3PRKCG
SCHEMBL3147133 0.89 HTR6 (0.78) HTR6
SCHEMBL3157039 0.88 HTR6 (0.80) HTR6ROCK2ROCK1PRKD3PRKCG
SCHEMBL3149049 0.85 HTR6 (0.60) HTR6ROCK2ROCK1PRKD3PRKCG
SCHEMBL3147467 0.85 HTR6 (0.64) HTR6
SCHEMBL3144604 0.84 HTR6 (0.78) HTR6MEN1KMT2ASMN1; SMN2HTT
SCHEMBL3148983 0.82 HTR6 (0.58) HTR6
SCHEMBL3147517 0.82 HTR6 (0.60) 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 13 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-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-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
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
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-20070032482-A1 Benzoxazinone-derived sulfonamide compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-02-08 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 (3 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-20070032482-A1 Benzoxazinone-derived sulfonamide compounds, their preparation and use as medicaments HTR6, HTR5A, P2RX6 HTR6 1/4885ROCK2 4782/4885ROCK1 4740/4885
US-20100120747-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY HTR6, AANAT, ACHE HTR6 1/4885ROCK2 1970/4885ROCK1 1520/4885
US-20100074955-A1 Combination of NMDA-Receptor Ligand and a Compound With 5-HT6 Receptor Affinity GRM6, GRIN3B, GRIN3A HTR6 4/4885ROCK2 3933/4885ROCK1 3615/4885

“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.