SCHEMBL3632202

SCHEMBL3632202

[C]1CCc2cnccc2C1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.54
CHRNB2 P17787 3/20 0.48
CHRNA4 P43681 3/20 0.48
CHRNA7 P36544 1/20 0.32

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
SCHEMBL8348679 0.74
5,6,7,8-Tetrahydroisoquinoline SCHEMBL28211 0.70 SIGMAR1 (1.00) SIGMAR1CHRNB2CHRNA4CHRNA7
SCHEMBL24203 0.70 TSHR (0.46)
SCHEMBL29518090 0.70
SCHEMBL2388666 0.70
SCHEMBL12524319 0.69 SIGMAR1 (0.95) SIGMAR1CHRNB2CHRNA4CHRNA7
SCHEMBL20682524 0.69 SIGMAR1 (0.95) SIGMAR1CHRNB2CHRNA4CHRNA7
SCHEMBL19840372 0.69 SIGMAR1 (0.95) SIGMAR1CHRNB2CHRNA4CHRNA7
SCHEMBL4077470 0.69 SIGMAR1 (0.95) SIGMAR1CHRNB2CHRNA4CHRNA7
SCHEMBL7338430 0.69

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4028401-B1 4,4A,5,7,8,8A-HEXAPYRIDO[4,3-B][1,4]OXAZIN-3-ONE COMPOUNDS AS MAGL INHIBITORS HOFFMANN LA ROCHE (CH) 2023-11-22 EP disclosed
EP-4028401-A1 4,4A,5,7,8,8A-HEXAPYRIDO[4,3-B][1,4]OXAZIN-3-ONE COMPOUNDS AS MAGL INHIBITORS F. Hoffmann-La Roche AG (CH) 2022-07-20 EP disclosed
CN-114364682-A Compound 4,4A,5,7,8, 8A-hexapyrido [4,3-B ] [1,4] oxazin-3-one as MAGL inhibitor 豪夫迈·罗氏有限公司 2022-04-15 CN disclosed
US-20210094971-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2021-04-01 US disclosed
WO-2021048036-A1 4,4A,5,7,8,8A-HEXAPYRIDO[4,3-B][1,4]OXAZIN-3-ONE COMPOUNDS AS MAGL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2021-03-18 WO disclosed
EP-2142536-B1 AMINOPYRIMIDINE DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2015-10-21 EP disclosed
US-8188094-B2 Imidazole derivatives; Alzheimer's Disease, Down syndrome and Huntington's Disease; hypotensive agents; sleeping and eating disorders, anxiolytic agents, antidepressants, antiepileptic agents; drug abuse/withdrawl; 1-(3,4-dimethoxyphenyl)-3-(3-(5-methyl-1H-imidazol-1-yl)propyl)thiourea PROBIODRUG AG (DE) 2012-05-29 US disclosed
EP-2142536-A1 AMINOPYRIMIDINE DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS Probiodrug AG (DE) 2010-01-13 EP disclosed
WO-2008128984-A1 AMINOPYRIMIDINE DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-10-30 WO disclosed
US-20080260688-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-10-23 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-20080260688-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE GLS, GLS2, QPCT SIGMAR1 3401/4885CHRNB2 2294/4885CHRNA4 2902/4885
US-20210094971-A1 HETEROCYCLIC COMPOUNDS CYP1B1, CYP4B1, CYP4X1 SIGMAR1 1402/4885CHRNB2 2684/4885CHRNA4 2737/4885

“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.