SCHEMBL3409976

SCHEMBL3409976

Cc1cccc2c1COC(=O)N2C1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.43
HTR2B P41595 4/20 0.43
HTR2A P28223 3/20 0.43
OXTR P30559 4/20 0.39
HTR6 P50406 4/20 0.38
NOTUM Q6P988 1/20 0.37
ADRB1 P08588 1/20 0.36
NSD3 Q9BZ95 1/20 0.36
PARP1 P09874 1/20 0.35
PARP10 Q53GL7 1/20 0.35
PARP11 Q9NR21 1/20 0.35

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 SCHEMBL7455203 0.99 HTR2C (0.43) HTR2CHTR2BHTR2AOXTRHTR6
SCHEMBL3380040 0.84 OXTR (0.39) OXTRHTR6NOTUMPARP1
SCHEMBL3379042 0.84 NOTUM (0.46) HTR2CHTR2BHTR2AOXTRHTR6
SCHEMBL3377694 0.84 HTR6 (0.38) HTR2CHTR2BHTR2AOXTRHTR6
SCHEMBL3379033 0.84 OXTR (0.47) HTR2CHTR2BHTR2AOXTRHTR6
Hydrochloric Acid SCHEMBL8088536 0.83 HTR6 (0.37) OXTRHTR6NOTUM
SCHEMBL3379230 0.79 HTR6 (0.57) HTR2CHTR2BHTR2AOXTRHTR6
SCHEMBL7291352 0.78 HTR2C (0.48) HTR2CHTR2BHTR2ANOTUMADRB1
SCHEMBL400825 0.78 HTR6 (0.54) OXTRHTR6NOTUM
SCHEMBL7447021 0.77 GPR119 (0.43) OXTR

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
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
US-7056914-B2 Benzoxazinone-derived compounds, their preparation and use as medicaments ESTEVE LABORATORIOS DR. ESTEVE S.A. (ES) 2006-06-06 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-1648886-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-04-26 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
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

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 HTR2C 23/4885HTR2B 31/4885HTR2A 18/4885
US-20070032482-A1 Benzoxazinone-derived sulfonamide compounds, their preparation and use as medicaments HTR6, HTR5A, P2RX6 HTR2C 10/4885HTR2B 18/4885HTR2A 6/4885
US-20060128701-A1 Benzoxazinone-derived compounds, their preparation and use as medicaments XDH, CYP3A5, CYP4X1 HTR2C 806/4885HTR2B 1326/4885HTR2A 1338/4885
US-20040058920-A1 Benzoxazinone-derived compounds, their preparation and use as medicaments XDH, CYP3A5, CYP4X1 HTR2C 806/4885HTR2B 1326/4885HTR2A 1338/4885
US-20120128768-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY HTR6, NPY5R, NPY2R HTR2C 23/4885HTR2B 31/4885HTR2A 18/4885
US-20070009597-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity NPY5R, HTR6, NPY2R HTR2C 32/4885HTR2B 50/4885HTR2A 19/4885

“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.