SCHEMBL3147668

SCHEMBL3147668

O=C1OCc2cc(F)ccc2N1C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.56
PKM P14618 4/20 0.49
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MCOLN3 Q8TDD5 3/20 0.49
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
PKLR P30613 1/20 0.45
TSHR P16473 2/20 0.45
AKR1C3 P42330 1/20 0.43
AKR1C1 Q04828 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL13809520 0.89 HTR6 (0.56) HTR6PKMALDH1A1KDM4EMCOLN3
SCHEMBL3147534 0.89 HTR6 (0.54) HTR6PKMALDH1A1KDM4EMCOLN3
SCHEMBL3148520 0.89 HTR6 (0.69) HTR6PKMALDH1A1KDM4EMCOLN3
SCHEMBL3144543 0.89 HTR6 (0.56) HTR6PKMALDH1A1KDM4EMCOLN3
SCHEMBL3148801 0.89 HTR6 (0.56) HTR6PKMALDH1A1KDM4EMCOLN3
SCHEMBL3152985 0.89 HTR6 (0.56) HTR6PKMALDH1A1KDM4EMCOLN3
SCHEMBL3143979 0.88 HTR6 (0.54) HTR6PKMALDH1A1KDM4ELMNA
SCHEMBL4402141 0.87 HTR6 (0.56) HTR6PKMALDH1A1KDM4ELMNA
SCHEMBL3157202 0.85 HTR6 (0.78) HTR6ALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL3148693 0.83 HTR6 (0.45) HTR6PKMALDH1A1KDM4ELMNA

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-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
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-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 1/4885PKM 1942/4885ALDH1A1 3499/4885
US-20070032482-A1 Benzoxazinone-derived sulfonamide compounds, their preparation and use as medicaments HTR6, HTR5A, P2RX6 HTR6 1/4885PKM 1522/4885ALDH1A1 1597/4885
US-20100120747-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY HTR6, AANAT, ACHE HTR6 1/4885PKM 1983/4885ALDH1A1 1189/4885
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 1/4885PKM 1942/4885ALDH1A1 3499/4885
US-20100074955-A1 Combination of NMDA-Receptor Ligand and a Compound With 5-HT6 Receptor Affinity GRM6, GRIN3B, GRIN3A HTR6 4/4885PKM 1656/4885ALDH1A1 3257/4885
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 2/4885PKM 1672/4885ALDH1A1 3880/4885

“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.