SCHEMBL11028668

SCHEMBL11028668

COC(=O)C1(N)CCC(OC)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
DPP4 P27487 2/20 0.34
GRM4 Q14833 4/20 0.33
GRM2 Q14416 2/20 0.33
GRM3 Q14832 2/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GRM8 O00222 1/20 0.33
GRM6 O15303 1/20 0.33
GRM5 P41594 1/20 0.33
MTOR P42345 1/20 0.33
GRM1 Q13255 1/20 0.33
PLCB1 Q9NQ66 1/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.33
SOD1 P00441 1/20 0.31

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
SCHEMBL14689539 1.00 EPHX2 (0.35) EPHX2NPSR1DPP4GRM4GRM2
SCHEMBL14689536 1.00 EPHX2 (0.35) EPHX2NPSR1DPP4GRM4GRM2
Hydrochloric Acid SCHEMBL1943385 0.98 EPHX2 (0.34) EPHX2NPSR1DPP4GRM4GRM2
Hydrochloric Acid SCHEMBL1943386 0.98 EPHX2 (0.34) EPHX2NPSR1DPP4GRM4GRM2
Hydrochloric Acid SCHEMBL1321280 0.98 EPHX2 (0.34) EPHX2NPSR1DPP4GRM4GRM2
SCHEMBL28745251 0.82 DPP4 (0.34) EPHX2DPP4CYP1A2ALOX15SLC6A4
SCHEMBL18736369 0.82 MMP1 (0.34) NPSR1MAPTMMP1
SCHEMBL24511780 0.82 NPSR1 (0.35) NPSR1GRM4GRM2GRM3LMNA
SCHEMBL1808341 0.82 NPSR1 (0.35) NPSR1GRM4GRM2GRM3LMNA
SCHEMBL19696482 0.82 GRM4 (0.47) DPP4GRM4GRM2GRM3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023274869-A1 3-(4-ALKENYL-PHENYL)-3-PYRROLINO-2-ONES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2023-01-05 WO disclosed
CN-106905215-B Process for preparing 1-H-pyrrolidine-2, 4-dione derivatives 拜耳知识产权有限责任公司 2021-10-01 CN disclosed
WO-2019228788-A1 2-BROMO-6-ALKOXYPHENYL-SUBSTITUTED PYRROLIN-2-ONES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2019-12-05 WO disclosed
US-9272997-B2 Process for the preparation of 1-H-pyrrolidine-2,4-dione derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-03-01 US disclosed
US-20140371468-A1 Process for the Preparation of 1-H-pyrrolidine-2,4-dione Derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2014-12-18 US disclosed
US-8859782-B2 Process for the preparation of 1-H-pyrrolidine-2,4-dione derivatives BAYER CROPSCIENCE AG (DE) 2014-10-14 US disclosed
WO-2014160649-A1 HYDROXAMIC ACID DERIVATIVES AS LPXC INHIBITORS FOR THE TREATMENT OF BACTERIAL INFECTIONS NOVARTIS AG (CH) 2014-10-02 WO disclosed
US-20140038822-A1 USE OF SUBSTITUTED SPIROCYCLIC SULFONAMIDOCARBOXYLIC ACIDS, CARBOXYLIC ESTERS THEREOF, CARBOXAMIDES THEREOF AND CARBONITRILES THEREOF OR SALTS THEREOF FOR ENHANCEMENT OF STRESS TOLERANCE IN PLANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-06 US disclosed
CN-103476254-A Use of substituted spirocyclic sulfonamidocarboxylic acids, carboxylic esters thereof, carboxamides thereof and carbonitriles thereof or salts thereof for enhancement of stress tolerance in plants BAYER CROPSCIENCE AG 2013-12-25 CN disclosed
EP-2658376-A1 USE OF SUBSTITUTED SPIROCYCLIC SULFONAMIDOCARBOXYLIC ACIDS, CARBOXYLIC ESTERS THEREOF, CARBOXAMIDES THEREOF AND CARBONITRILES THEREOF OR SALTS THEREOF FOR ENHANCEMENT OF STRESS TOLERANCE IN PLANTS Bayer Intellectual Property GmbH (DE) 2013-11-06 EP disclosed
US-7803967-B2 4-alkoxy-cyclohexane-1-amino-carboxylic esters and processes for their preparation BAYER CROPSCIENCE AG (DE) 2010-09-28 US disclosed
US-7803967-B2 4-alkoxy-cyclohexane-1-amino-carboxylic esters and processes for their preparation BAYER CROPSCIENCE AG (DE) 2010-09-28 US disclosed
US-20090156402-A1 4-ALKOXY-CYCLOHEXANE-1-AMINO-CARBOXYLIC ESTERS AND PROCESSES FOR THEIR PREPARATION BAYER CROPSCIENCE AG (DE) 2009-06-18 US disclosed
US-20090156402-A1 4-ALKOXY-CYCLOHEXANE-1-AMINO-CARBOXYLIC ESTERS AND PROCESSES FOR THEIR PREPARATION BAYER CROPSCIENCE AG (DE) 2009-06-18 US disclosed
US-7511153-B2 4-alkoxy cyclohexane-1 amino carboxylic acid esters and method for the production thereof BAYER CROPSCIENCE AG (DE) 2009-03-31 US disclosed
US-7511153-B2 4-alkoxy cyclohexane-1 amino carboxylic acid esters and method for the production thereof BAYER CROPSCIENCE AG (DE) 2009-03-31 US disclosed
EP-1309562-B1 4-ALKOXY CYCLOHEXANE-1 AMINO CARBOXYLIC ACID ESTERS AND METHOD FOR THE PRODUCTION THEREOF BAYER CROPSCIENCE AG (DE) 2008-05-07 EP disclosed
US-20070043219-A1 4-Alkoxy cyclohexane-1 amino carboxylic acid esters and method for the production thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-02-22 US disclosed
US-20070043219-A1 4-Alkoxy cyclohexane-1 amino carboxylic acid esters and method for the production thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-02-22 US disclosed
CN-1087904-A Carboxylic acid derivative, the pharmaceutical composition that contains these compounds with and preparation method thereof KRAL THOMAE GMBH (DE) 1994-06-15 CN 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 (4 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-20070043219-A1 4-Alkoxy cyclohexane-1 amino carboxylic acid esters and method for the production thereof ALDH7A1, DDC, ABAT EPHX2 268/4885NPSR1 1380/4885DPP4 162/4885
US-20090156402-A1 4-ALKOXY-CYCLOHEXANE-1-AMINO-CARBOXYLIC ESTERS AND PROCESSES FOR THEIR PREPARATION DDT, CYP4B1, ALDH7A1 EPHX2 177/4885NPSR1 1774/4885DPP4 77/4885
US-20140038822-A1 USE OF SUBSTITUTED SPIROCYCLIC SULFONAMIDOCARBOXYLIC ACIDS, CARBOXYLIC ESTERS THEREOF, CARBOXAMIDES THEREOF AND CARBONITRILES THEREOF OR SALTS THEREOF FOR ENHANCEMENT OF STRESS TOLERANCE IN PLANTS STS, SCLY, TST EPHX2 1154/4885NPSR1 1683/4885DPP4 3202/4885
US-20140371468-A1 Process for the Preparation of 1-H-pyrrolidine-2,4-dione Derivatives DHPS, HPD, DOHH EPHX2 1885/4885NPSR1 1380/4885DPP4 912/4885

“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.