SCHEMBL3380040

SCHEMBL3380040

O=C1OCc2c(O)cccc2N1C1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OXTR P30559 8/20 0.39
HTR6 P50406 3/20 0.38
NOTUM Q6P988 1/20 0.37
PARP1 P09874 2/20 0.36
PARP2 Q9UGN5 2/20 0.36

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
SCHEMBL3379042 0.84 NOTUM (0.46) OXTRHTR6NOTUM
SCHEMBL3409976 0.84 HTR2C (0.43) OXTRHTR6NOTUMPARP1
SCHEMBL3377694 0.84 HTR6 (0.38) OXTRHTR6NOTUMPARP1PARP2
Hydrochloric Acid SCHEMBL7455203 0.83 HTR2C (0.43) OXTRHTR6NOTUM
Hydrochloric Acid SCHEMBL8088536 0.83 HTR6 (0.37) OXTRHTR6NOTUM
SCHEMBL3379033 0.81 OXTR (0.47) OXTRHTR6
SCHEMBL3378395 0.79 HTR6 (0.42) OXTRHTR6PARP1
SCHEMBL400825 0.78 HTR6 (0.54) OXTRHTR6NOTUM
Hydrochloric Acid SCHEMBL2267895 0.77 HTR6 (0.53) OXTRHTR6NOTUM
SCHEMBL3381538 0.74 OXTR (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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497285-B1 BENZOXAZINONE-DERIVED COMPOUNDS, THEIR PREPARATION UND USE AS MEDICAMENTS ESTEVE LABOR DR (ES) 2010-11-24 EP claimed
US-20060128701-A1 Benzoxazinone-derived compounds, their preparation and use as medicaments JOVER ANTONI T 2006-06-15 US claimed
US-7041665-B2 Benzoxazinone derivatives, their preparation and use as medicaments LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2006-05-09 US claimed
EP-1500654-A1 BENZOXAZINONE DERIVATIVES, THE PREPARATION AND USE THEREOF AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2005-01-26 EP claimed
EP-1497285-A1 BENZOXAZINONE-DERIVED COMPOUNDS, THEIR PREPARATION UND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2005-01-19 EP claimed
US-20040067941-A1 Benzoxazinone derivatives, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2004-04-08 US claimed
WO-2003084952-A1 BENZOXAZINONE-DERIVED COMPOUNDS, THEIR PREPARATION UND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2003-10-16 WO claimed
EP-1497285-B1 BENZOXAZINONE-DERIVED COMPOUNDS, THEIR PREPARATION UND USE AS MEDICAMENTS ESTEVE LABOR DR (ES) 2010-11-24 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
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
US-7041665-B2 Benzoxazinone derivatives, their preparation and use as medicaments LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2006-05-09 US disclosed
EP-1500654-B1 BENZOXAZINONE DERIVATIVES, THE PREPARATION AND USE THEREOF AS MEDICAMENTS ESTEVE LABOR DR (ES) 2006-02-01 EP disclosed
EP-1500654-A1 BENZOXAZINONE DERIVATIVES, THE PREPARATION AND USE THEREOF AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2005-01-26 EP 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-20040067941-A1 Benzoxazinone derivatives, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2004-04-08 US 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 (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-20060128701-A1 Benzoxazinone-derived compounds, their preparation and use as medicaments XDH, CYP3A5, CYP4X1 OXTR 2950/4885HTR6 983/4885NOTUM 1531/4885
US-20040058920-A1 Benzoxazinone-derived compounds, their preparation and use as medicaments XDH, CYP3A5, CYP4X1 OXTR 2950/4885HTR6 983/4885NOTUM 1531/4885
US-20040067941-A1 Benzoxazinone derivatives, their preparation and use as medicaments XDH, CYP4X1, CYP3A5 OXTR 1405/4885HTR6 505/4885NOTUM 1220/4885

“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.