SCHEMBL2647130

SCHEMBL2647130

CCOC(=O)C=C(N)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.50
ALOX15 P16050 1/20 0.44
HCAR2 Q8TDS4 1/20 0.42
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 1/20 0.35
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
HPGD P15428 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CAD P27708 1/20 0.33

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
SCHEMBL7902951 1.00 NPSR1 (0.50) NPSR1ALOX15HCAR2ALDH1A1LMNA
SCHEMBL2647184 1.00 NPSR1 (0.50) NPSR1ALOX15HCAR2ALDH1A1LMNA
SCHEMBL7379614 0.82 NPSR1 (0.48) NPSR1ALOX15HCAR2ALDH1A1LMNA
SCHEMBL20578087 0.82 NPSR1 (0.48) NPSR1ALOX15HCAR2ALDH1A1LMNA
SCHEMBL20578377 0.82 NPSR1 (0.48) NPSR1ALOX15HCAR2ALDH1A1LMNA
SCHEMBL10965476 0.82 NPSR1 (0.48) NPSR1ALOX15HCAR2ALDH1A1LMNA
SCHEMBL20578088 0.82 NPSR1 (0.48) NPSR1ALOX15HCAR2ALDH1A1LMNA
SCHEMBL7379617 0.82 NPSR1 (0.48) NPSR1ALOX15HCAR2ALDH1A1LMNA
SCHEMBL4454382 0.81 NPSR1 (0.44) NPSR1ALOX15HCAR2ALDH1A1LMNA
SCHEMBL6399581 0.81 NPSR1 (0.44) NPSR1ALOX15HCAR2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0326389-B1 Process for preparing 4-hydroxypyrimidine UBE INDUSTRIES (JP) 1996-09-11 EP claimed
US-4935516-A Process for preparing 4-hydroxypyrimidine UBE INDUSTRIES, LTD. (JP) 1990-06-19 US claimed
EP-0326389-A2 Process for preparing 4-hydroxypyrimidine UBE INDUSTRIES, LTD. (JP) 1989-08-02 EP claimed
CN-109721596-B Phenyl-substituted dihydropyridines and their use 广东东阳光药业有限公司 2020-12-18 CN disclosed
CN-109721596-A The dihydropyridine compounds and application thereof that phenyl replaces 广东东阳光药业有限公司 2019-05-07 CN disclosed
EP-2900223-B1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2017-10-25 EP disclosed
US-9226922-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 US disclosed
US-20150258074-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-17 US disclosed
EP-2900223-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-08-05 EP disclosed
US-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine GLAXO GROUP LIMITED 2008-06-05 US disclosed
EP-1565442-B1 PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2007-11-14 EP disclosed
EP-0326389-A2 Process for preparing 4-hydroxypyrimidine UBE INDUSTRIES, LTD. (JP) 1989-08-02 EP disclosed
EP-0325129-A2 Disubstituted pyridines BAYER AG (DE) 1989-07-26 EP disclosed
EP-0325130-A2 Substituted pyridines BAYER AG (DE) 1989-07-26 EP disclosed
US-4826530-A PREEEMERGENCE AND SELECTIVE POSTEMEREGENCE HERBICIDES MONSANTO COMPANY (US) 1989-05-02 US disclosed
EP-0135491-B1 HERBICIDAL 2,6-BIS-FLUOROMETHYL-DIHYDROPYRIDINE-3,5-DICARBOXYLIC ACID ESTERS MONSANTO COMPANY (US) 1989-01-25 EP disclosed
US-4692184-A HERBICIDES MONSANTO COMPANY (US) 1987-09-08 US disclosed
EP-0135491-A1 Herbicidal 2,6-bis-fluoromethyl-dihydropyridine-3,5-dicarboxylic acid esters MONSANTO COMPANY (US) 1985-03-27 EP disclosed
EP-0133612-A2 Substituted 2,6-substituted pyridine compounds MONSANTO COMPANY (US) 1985-02-27 EP disclosed
EP-0031801-A2 6-Substituted 4-(2',3'-dichlorophenyl)-2-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid diesters having hypotensive properties as well as process for their preparation and pharmaceutical preparations containing same Aktiebolaget Hässle (SE) 1981-07-08 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-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine CNR2, CNR1, PDE4A NPSR1 138/4885ALOX15 1941/4885HCAR2 170/4885
US-20150258074-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAP3K20 NPSR1 3880/4885ALOX15 4373/4885HCAR2 4299/4885

“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.