SCHEMBL3377694

SCHEMBL3377694

O=C1OCc2c(F)cccc2N1C1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.38
OXTR P30559 6/20 0.37
NOTUM Q6P988 1/20 0.37
OPRL1 P41146 1/20 0.37
AADAT Q8N5Z0 1/20 0.35
HTR2A P28223 4/20 0.33
HTR2C P28335 4/20 0.33
HTR2B P41595 3/20 0.33
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 1/20 0.33

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 SCHEMBL8088536 0.99 HTR6 (0.37) HTR6OXTRNOTUMOPRL1AADAT
SCHEMBL3379042 0.84 NOTUM (0.46) HTR6OXTRNOTUMAADATHTR2A
SCHEMBL3380040 0.84 OXTR (0.39) HTR6OXTRNOTUMPARP1PARP2
SCHEMBL3409976 0.84 HTR2C (0.43) HTR6OXTRNOTUMHTR2AHTR2C
Hydrochloric Acid SCHEMBL7455203 0.83 HTR2C (0.43) HTR6OXTRNOTUMHTR2AHTR2C
SCHEMBL3379033 0.81 OXTR (0.47) HTR6OXTRAADATHTR2AHTR2C
SCHEMBL400825 0.78 HTR6 (0.54) HTR6OXTRNOTUM
Hydrochloric Acid SCHEMBL2267895 0.77 HTR6 (0.53) HTR6OXTRNOTUM
SCHEMBL8081417 0.77 GPR119 (0.43) OXTR
SCHEMBL3380150 0.76 OXTR (0.38) HTR6OXTRNOTUMPARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1497285-B1 BENZOXAZINONE-DERIVED COMPOUNDS, THEIR PREPARATION UND USE AS MEDICAMENTS ESTEVE LABOR DR (ES) 2010-11-24 EP 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
US-7514429-B2 Benzoxazinone-derived compounds, their preparation and use as medicaments ESTEVE LABORATORIOS DR. ESTEVE S.A. (ES) 2009-04-07 US 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
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
US-20060128701-A1 Benzoxazinone-derived compounds, their preparation and use as medicaments JOVER ANTONI T 2006-06-15 US disclosed
EP-1660131-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) 2006-05-31 EP disclosed
EP-1648468-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) 2006-04-26 EP disclosed
EP-1648886-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-04-26 EP disclosed
WO-2005014000-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) 2005-02-17 WO disclosed
WO-2005014589-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (DE) 2005-02-17 WO disclosed
WO-2005014045-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. (DE) 2005-02-17 WO disclosed
EP-1497285-A1 BENZOXAZINONE-DERIVED COMPOUNDS, THEIR PREPARATION UND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2005-01-19 EP disclosed
US-20040058920-A1 Benzoxazinone-derived compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE,S.A. (ES) 2004-03-25 US disclosed
WO-2003084952-A1 BENZOXAZINONE-DERIVED COMPOUNDS, THEIR PREPARATION UND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2003-10-16 WO disclosed
US-6090805-A Tocolytic oxytocin receptor antagonists MERCK & CO., INC. (US) 2000-07-18 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 1/4885OXTR 64/4885NOTUM 1810/4885
US-20070032482-A1 Benzoxazinone-derived sulfonamide compounds, their preparation and use as medicaments HTR6, HTR5A, P2RX6 HTR6 1/4885OXTR 623/4885NOTUM 1055/4885
US-20060128701-A1 Benzoxazinone-derived compounds, their preparation and use as medicaments XDH, CYP3A5, CYP4X1 HTR6 983/4885OXTR 2950/4885NOTUM 1531/4885
US-20040058920-A1 Benzoxazinone-derived compounds, their preparation and use as medicaments XDH, CYP3A5, CYP4X1 HTR6 983/4885OXTR 2950/4885NOTUM 1531/4885
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 1/4885OXTR 64/4885NOTUM 1810/4885
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 2/4885OXTR 83/4885NOTUM 1175/4885

“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.