SCHEMBL3382799

SCHEMBL3382799

COc1ccc2c(c1)COC(=O)N2N1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HSD17B10 Q99714 1/20 0.40
NOTUM Q6P988 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
SRD5A1 P18405 1/20 0.39
TP53 P04637 1/20 0.38
LRRK2 Q5S007 1/20 0.38
OXTR P30559 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL5074819 0.88 HTR6 (0.44) SMN1; SMN2KDM4ENPC1ALDH1A1GAA
SCHEMBL3383722 0.80 MAOA (0.36) NPC1ALDH1A1GAAMAPTRAB9A
SCHEMBL6602559 0.77 LMNA (0.49) SMN1; SMN2KDM4ENPC1ALDH1A1GAA
SCHEMBL30293275 0.77 LMNA (0.49) SMN1; SMN2KDM4ENPC1ALDH1A1GAA
SCHEMBL3383570 0.72 NOTUM (0.41) ALDH1A1GAAMAPTTDP1NOTUM
SCHEMBL3382828 0.71 ALDH1A1 (0.38) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL3383652 0.71 HTR6 (0.39) SMN1; SMN2KDM4EALDH1A1GAAMAPT
SCHEMBL3381033 0.68 OXTR (0.52) ALDH1A1OXTRHTR6
SCHEMBL6661823 0.64 PRF1 (0.65) SMN1; SMN2KDM4ENPC1ALDH1A1GAA
SCHEMBL28901304 0.64 CHRM1 (0.53)

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 24 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-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-1500654-B1 BENZOXAZINONE DERIVATIVES, THE PREPARATION AND USE THEREOF AS MEDICAMENTS ESTEVE LABOR DR (ES) 2006-02-01 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-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 (7 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 SMN1; SMN2 3990/4885KDM4E 3598/4885NPC1 2956/4885
US-20070032482-A1 Benzoxazinone-derived sulfonamide compounds, their preparation and use as medicaments HTR6, HTR5A, P2RX6 SMN1; SMN2 4172/4885KDM4E 1795/4885NPC1 3828/4885
US-20060128701-A1 Benzoxazinone-derived compounds, their preparation and use as medicaments XDH, CYP3A5, CYP4X1 SMN1; SMN2 4025/4885KDM4E 1054/4885NPC1 1947/4885
US-20040058920-A1 Benzoxazinone-derived compounds, their preparation and use as medicaments XDH, CYP3A5, CYP4X1 SMN1; SMN2 4025/4885KDM4E 1054/4885NPC1 1947/4885
US-20040067941-A1 Benzoxazinone derivatives, their preparation and use as medicaments XDH, CYP4X1, CYP3A5 SMN1; SMN2 977/4885KDM4E 2208/4885NPC1 959/4885
US-20120128768-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY HTR6, NPY5R, NPY2R SMN1; SMN2 3990/4885KDM4E 3598/4885NPC1 2956/4885
US-20070009597-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity NPY5R, HTR6, NPY2R SMN1; SMN2 4090/4885KDM4E 3574/4885NPC1 2706/4885

“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.