SCHEMBL589407

SCHEMBL589407

COC(=O)/C=C(/CCl)OC

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
TSHR P16473 2/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL589408 1.00 HCAR2 (0.42) HCAR2KEAP1NFE2L2TSHRSMN1; SMN2
SCHEMBL1066497 1.00 HCAR2 (0.42) HCAR2KEAP1NFE2L2TSHRSMN1; SMN2
SCHEMBL9777204 0.83 NPSR1 (0.48) HCAR2SMN1; SMN2
SCHEMBL17469589 0.83 NPSR1 (0.48) HCAR2SMN1; SMN2
SCHEMBL9718471 0.83 ALDH1A1 (0.41) HCAR2KEAP1NFE2L2SMN1; SMN2
SCHEMBL9718465 0.83 ALDH1A1 (0.41) HCAR2KEAP1NFE2L2SMN1; SMN2
SCHEMBL9777200 0.83 NPSR1 (0.48) HCAR2SMN1; SMN2
SCHEMBL9718475 0.83 ALDH1A1 (0.41) HCAR2KEAP1NFE2L2SMN1; SMN2
SCHEMBL4147346 0.81
SCHEMBL1427568 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11612606-B2 8-aminoisoquinoline compounds and uses thereof GENENTECH, INC. (US) 2023-03-28 US disclosed
CN-114685274-A Esterification method for preparing 4-methyl chloroacetoacetate 江西迪赛诺制药有限公司 2022-07-01 CN disclosed
CN-113166062-A 8-aminoisoquinoline compounds and uses thereof 豪夫迈·罗氏有限公司 2021-07-23 CN disclosed
EP-3087067-B1 4-(PIPERRAZIN-1-YL)-PYRROLIDIN-2-ONE COMPOUNDS AS MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS TAKEDA PHARMACEUTICALS CO (JP) 2018-10-24 EP disclosed
US-9624170-B2 4-(piperrazin-1-yl)-pyrrolidin-2-one compounds as monoacylglycerol lipase (MAGL) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-04-18 US disclosed
US-20160318864-A1 4-(PIPERRAZIN-1-YL)-PYRROLIDIN-2-ONE COMPOUNDS AS MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-11-03 US disclosed
EP-3087067-A1 4-(PIPERRAZIN-1-YL)-PYRROLIDIN-2-ONE COMPOUNDS AS MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2016-11-02 EP disclosed
WO-2015099196-A1 4-(PIPERRAZIN-1-YL)-PYRROLIDIN-2-ONE COMPOUNDS AS MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-02 WO disclosed
US-8822474-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-02 US disclosed
US-8822474-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-02 US disclosed
US-5371237-A Process for the production of 4-hydroxy-2-oxopyrrolidin-1-yl-acetamide LONZA LTD. (CH) 1994-12-06 US disclosed
US-5276164-A Process for the production of 4-hydroxy-2-oxopyrrolidin-1-yl-acetamide LONZA LTD. (CH) 1994-01-04 US disclosed
US-5113012-A PROCESS FOR THE PRODUCTION OF 1,3-CYCLOPENTANEDIONE LONZA LTD. (CH) 1992-05-12 US disclosed
US-5087760-A PROCESS FOR THE PRODUCTION OF 1,3-CYCLOPENTANEDIONE LONZA LTD. (CH) 1992-02-11 US disclosed
US-4931570-A Process for the production of 4-alkoxy-2(5H) thiophenones LONZA LTD. (CH) 1990-06-05 US disclosed
US-4906759-A Process for the production of 4-alkoxy-2(5H) thiophenones LONZA LTD. (CH) 1990-03-06 US disclosed
US-4906765-A Process for the production of 4-alkoxy-2(5H) thiophenones LONZA LTD. (CH) 1990-03-06 US disclosed
US-4880940-A 4-alkoxy-3-pyrrolin-2-on-1-yl acetic acid alkyl esters LONZA LTD. (CH) 1989-11-14 US disclosed
US-4788294-A Process for the production of 4-alkoxy-3-pyrrolin-2-ones LONZA LTD. (CH) 1988-11-29 US disclosed
US-4780545-A Production of 4-alkoxy-3-pyrrolin-2-on-1-yl acetic acid alkyl esters LONZA LTD. (CH) 1988-10-25 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-20160318864-A1 4-(PIPERRAZIN-1-YL)-PYRROLIDIN-2-ONE COMPOUNDS AS MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, PNLIP, LYPLAL1 HCAR2 2528/4885KEAP1 622/4885NFE2L2 1850/4885
US-11612606-B2 8-aminoisoquinoline compounds and uses thereof PHKG1, MAP4K5, HIPK1 HCAR2 1166/4885KEAP1 280/4885NFE2L2 587/4885

“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.