SCHEMBL3379042

SCHEMBL3379042

O=C1OCc2c(Cl)cccc2N1C1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.46
HTR2C P28335 5/20 0.43
HTR2B P41595 4/20 0.43
HTR2A P28223 4/20 0.43
HTR6 P50406 4/20 0.40
OXTR P30559 2/20 0.37
ADRB1 P08588 2/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
AADAT Q8N5Z0 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
SCHEMBL3377694 0.84 HTR6 (0.38) NOTUMHTR2CHTR2BHTR2AHTR6
SCHEMBL3380040 0.84 OXTR (0.39) NOTUMHTR6OXTR
SCHEMBL3409976 0.84 HTR2C (0.43) NOTUMHTR2CHTR2BHTR2AHTR6
Hydrochloric Acid SCHEMBL8088536 0.83 HTR6 (0.37) NOTUMHTR6OXTRAADAT
Hydrochloric Acid SCHEMBL7455203 0.83 HTR2C (0.43) NOTUMHTR2CHTR2BHTR2AHTR6
SCHEMBL3379033 0.81 OXTR (0.47) HTR2CHTR2BHTR2AHTR6OXTR
SCHEMBL3380185 0.79 HTR2C (0.47) HTR2CHTR2BHTR2AHTR6OXTR
SCHEMBL400825 0.78 HTR6 (0.54) NOTUMHTR6OXTR
Hydrochloric Acid SCHEMBL2267895 0.77 HTR6 (0.53) NOTUMHTR6OXTR
SCHEMBL3142925 0.76 HTR6 (0.55) NOTUMHTR6

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-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
US-20040067941-A1 Benzoxazinone derivatives, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2004-04-08 US 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
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

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 NOTUM 1531/4885HTR2C 806/4885HTR2B 1326/4885
US-20040058920-A1 Benzoxazinone-derived compounds, their preparation and use as medicaments XDH, CYP3A5, CYP4X1 NOTUM 1531/4885HTR2C 806/4885HTR2B 1326/4885
US-20040067941-A1 Benzoxazinone derivatives, their preparation and use as medicaments XDH, CYP4X1, CYP3A5 NOTUM 1220/4885HTR2C 319/4885HTR2B 515/4885

“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.