SCHEMBL3379372

SCHEMBL3379372

O=C1OCc2ccc(C(F)(F)F)cc2N1C1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.40
HTR2A P28223 3/20 0.40
HTR2B P41595 3/20 0.40
OXTR P30559 8/20 0.39
PARP1 P09874 1/20 0.36
PARP10 Q53GL7 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR6 P50406 1/20 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
SCHEMBL3380254 0.84 OXTR (0.41) HTR2CHTR2BOXTRHTR6
SCHEMBL3378297 0.81 HTR2A (0.43) HTR2CHTR2AHTR2BOXTRKMT2A
Hydrochloric Acid SCHEMBL6871211 0.80 HTR6 (0.43) HTR2CHTR2BOXTRHTR6
SCHEMBL3380150 0.78 OXTR (0.38) OXTRHTR6
SCHEMBL400825 0.78 HTR6 (0.54) OXTRHTR6
Hydrochloric Acid SCHEMBL2267895 0.77 HTR6 (0.53) OXTRHTR6
SCHEMBL3381685 0.76 OXTR (0.41) HTR2CHTR2BOXTRHTR6
SCHEMBL14667894 0.76 CTSS (0.44) HTR2CKMT2A
Hydrochloric Acid SCHEMBL13506588 0.75 CTSS (0.43) HTR2CKMT2A
SCHEMBL3377927 0.73 OXTR (0.43) HTR2CHTR2AHTR2BOXTRKMT2A

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 7 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
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-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 (2 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 HTR2C 806/4885HTR2A 1338/4885HTR2B 1326/4885
US-20040058920-A1 Benzoxazinone-derived compounds, their preparation and use as medicaments XDH, CYP3A5, CYP4X1 HTR2C 806/4885HTR2A 1338/4885HTR2B 1326/4885

“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.