SCHEMBL1088151

SCHEMBL1088151

[CH]1CCCc2cnccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.54
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CHRM2 P08172 2/20 0.33
CHRM3 P20309 2/20 0.33
CHRM1 P11229 1/20 0.33
CHRM4 P08173 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
THRB P10828 1/20 0.32
CYP2C19 P33261 1/20 0.32
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
KDM4C Q9H3R0 3/20 0.30
KDM5A P29375 2/20 0.30
KDM5B Q9UGL1 2/20 0.30
ROCK2 O75116 1/20 0.30
GRK2 P25098 1/20 0.30

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
SCHEMBL539421 0.87
SCHEMBL9537234 0.83 SIGMAR1 (0.54) SIGMAR1CHRNB2CHRNA4CYP11B1CYP11B2
SCHEMBL1950016 0.71 SIGMAR1 (0.43) SIGMAR1CHRNB2CHRNA4
5,6,7,8-Tetrahydroisoquinoline SCHEMBL28211 0.70 SIGMAR1 (1.00) SIGMAR1CHRNB2CHRNA4CYP11B1CYP11B2
SCHEMBL2388666 0.70
SCHEMBL29518090 0.70
SCHEMBL16031737 0.70
SCHEMBL4077470 0.69 SIGMAR1 (0.95) SIGMAR1CHRNB2CHRNA4CYP11B1CYP11B2
SCHEMBL20682524 0.69 SIGMAR1 (0.95) SIGMAR1CHRNB2CHRNA4CYP11B1CYP11B2
SCHEMBL19840372 0.69 SIGMAR1 (0.95) SIGMAR1CHRNB2CHRNA4CYP11B1CYP11B2

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0771196-B1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1999-12-08 EP claimed
US-5717109-A CARBOXYCYCLOPROPYL GLYCINE DERIVATIVES; USEFUL FOR TREATMENT OF ACUTE OR CHRONIC NEURODEGENERATIVE CONDITIONS, AND AS ANTIPSYCHOTIC, ANTICONVULSANT, ANALGESIC, ANXIOLYTIC, ANTIDEPRESSANT AND ANTI-EMETIC AGENTS ELI LILLY AND COMPANY (US) 1998-02-10 US claimed
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-2970215-B1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND (DE) 2019-04-17 EP disclosed
US-9650334-B2 Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2017-05-16 US disclosed
EP-2970215-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-20 EP disclosed
US-20140275086-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 US disclosed
EP-0771196-A4 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1997-09-03 EP disclosed
EP-0774455-A1 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1997-05-21 EP disclosed
EP-0774461-A1 Excitatory amino acid derivatives ELI LILLY AND COMPANY (US) 1997-05-21 EP disclosed
EP-0774454-A1 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1997-05-21 EP disclosed
EP-0771196-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-05-07 EP disclosed
WO-1996007405-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-03-14 WO disclosed
EP-0314852-B1 Process for the preparation of 1-substituted imidazole-carbonic acid and derivatives CIBA GEIGY AG (CH) 1993-11-18 EP disclosed
US-4921955-A Process for the synthesis of 1-substituted imidazole-5-carboxylic acids and carboxylic acid derivatives CIBA-GEIGY CORPORATION (US) 1990-05-01 US disclosed
EP-0314852-A2 Process for the preparation of 1-substituted imidazole-carbonic acid and derivatives CIBA-GEIGY AG (CH) 1989-05-10 EP 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-20140275086-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY SLC6A7, GFPT1, SUGT1 SIGMAR1 1739/4885CHRNB2 4647/4885CHRNA4 4587/4885
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.