SCHEMBL525096

SCHEMBL525096

O=C(OC1CCC1)ON1C(=O)CCC1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.35
MMP1 P03956 2/20 0.35
MMP9 P14780 2/20 0.35
MMP12 P39900 2/20 0.35
MMP2 P08253 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
GSK3B P49841 1/20 0.35
MGLL Q99685 3/20 0.32
F2 P00734 1/20 0.32
PRSS1 P07477 1/20 0.32
TPSAB1 Q15661 3/20 0.31
TPSD1 Q9BZJ3 3/20 0.31
TPSG1 Q9NRR2 3/20 0.31
TSHR P16473 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL561595 0.96 EPHX1 (0.39) EPHX1MMP1MMP9MMP12MMP2
SCHEMBL1799225 0.95 EPHX1 (0.42) EPHX1MMP1MMP9MMP12CCNE1
SCHEMBL20469204 0.92 CCNE1 (0.38) CCNE1CDK2GSK3BMGLLSERPINE1
SCHEMBL9887162 0.89 NPC1 (0.37) EPHX1MMP1MMP9MMP12MMP2
SCHEMBL1300090 0.87 CCNE1 (0.34) EPHX1MMP1MMP9MMP12MMP2
SCHEMBL27365535 0.87 CCNE1 (0.34) EPHX1MMP1MMP9MMP12MMP2
SCHEMBL31736019 0.87 CCNE1 (0.34) EPHX1MMP1MMP9MMP12MMP2
SCHEMBL27385617 0.87 CCNE1 (0.34) EPHX1MMP1MMP9MMP12MMP2
SCHEMBL1300093 0.87 CCNE1 (0.34) EPHX1MMP1MMP9MMP12MMP2
SCHEMBL18227162 0.87 CCNE1 (0.34) EPHX1MMP1MMP9MMP12MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2693882-B1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME (US) 2017-06-28 EP disclosed
EP-2693882-B1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME (US) 2017-06-28 EP disclosed
EP-2720544-B1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS, AND METHODS OF TREATMENT MERCK SHARP & DOHME (US) 2016-12-21 EP disclosed
US-20150274664-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Marck Sharp & Dohme Corp. (US) 2015-10-01 US disclosed
US-20150274664-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Marck Sharp & Dohme Corp. (US) 2015-10-01 US disclosed
US-20150274664-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Marck Sharp & Dohme Corp. (US) 2015-10-01 US disclosed
EP-2900242-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS Merck Sharp & Dohme Corp. (US) 2015-08-05 EP disclosed
US-9006228-B2 Substituted cyclopropyl compounds, compositions containing such compounds, and methods of treatment MERCK SHARP & DOHME CORP. (US) 2015-04-14 US disclosed
US-9006228-B2 Substituted cyclopropyl compounds, compositions containing such compounds, and methods of treatment MERCK SHARP & DOHME CORP. (US) 2015-04-14 US disclosed
US-9006228-B2 Substituted cyclopropyl compounds, compositions containing such compounds, and methods of treatment MERCK SHARP & DOHME CORP. (US) 2015-04-14 US disclosed
US-20110212938-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND THEIR USE AS MODULATORS OF THE ACTIVITY OF GPR119 SCHERING CORPORATION 2011-09-01 US disclosed
WO-2011030139-A1 4- (PYRIMIDIN-2-YL) -PIPERAZINE AND 4- (PYRIMIDIN-2-YL) -PIPERIDINE DERIVATIVES AS GPR119 MODULATORS ASTRAZENECA AB (SE) 2011-03-17 WO disclosed
US-20110065706-A1 Therapeutic Agents 812 ASTRAZENECA AB (SE) 2011-03-17 US disclosed
US-20110003765-A1 SUBSTITUTED 4--PIPERIDINE-1-CARBOXYLIC ACID ESTERS AS A2AR AGONISTS ADENOSINE THERAPEUTICS, LLC 2011-01-06 US disclosed
US-20110003765-A1 SUBSTITUTED 4--PIPERIDINE-1-CARBOXYLIC ACID ESTERS AS A2AR AGONISTS ADENOSINE THERAPEUTICS, LLC 2011-01-06 US disclosed
US-20100093770-A1 THERAPEUTIC AGENT FOR GLAUCOMA CONTAINING ADENOSINE DERIVATIVE AS ACTIVE INGREDIENT FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-04-15 US disclosed
US-20100093770-A1 THERAPEUTIC AGENT FOR GLAUCOMA CONTAINING ADENOSINE DERIVATIVE AS ACTIVE INGREDIENT FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-04-15 US disclosed
WO-2009082720-A2 SUBSTITUTED 4-{3-[6-AMINO-9-(3,4-DIHYDROXY-TETRAHYDRO-FURAN-2-YL)-9H-PURIN-2-YL]-PROP-2-YNYL}-PIPERIDINE-1-CARBOXYLIC ACID ESTERS AS A2AR AGONISTS PGX HEALTH, LLC (US) 2009-07-02 WO disclosed
US-20090162292-A1 SUBSTITUTED 4--PIPERIDINE-1-CARBOXYLIC ACID ESTERS AS A2AR AGONISTS PGXHEALTH, LLC (US) 2009-06-25 US disclosed
US-20090162292-A1 SUBSTITUTED 4--PIPERIDINE-1-CARBOXYLIC ACID ESTERS AS A2AR AGONISTS PGXHEALTH, LLC (US) 2009-06-25 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 (6 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-20150274664-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GCGR, GPR139 EPHX1 1847/4885MMP1 4772/4885MMP9 4348/4885
US-20100093770-A1 THERAPEUTIC AGENT FOR GLAUCOMA CONTAINING ADENOSINE DERIVATIVE AS ACTIVE INGREDIENT ADORA2A, PDE2A, PRKG1 EPHX1 1894/4885MMP1 761/4885MMP9 833/4885
US-20110003765-A1 SUBSTITUTED 4--PIPERIDINE-1-CARBOXYLIC ACID ESTERS AS A2AR AGONISTS ADORA2A, ADORA3, ADORA1 EPHX1 1014/4885MMP1 4506/4885MMP9 4355/4885
US-20090162292-A1 SUBSTITUTED 4--PIPERIDINE-1-CARBOXYLIC ACID ESTERS AS A2AR AGONISTS ADORA2A, ADORA3, ADORA1 EPHX1 1014/4885MMP1 4506/4885MMP9 4355/4885
US-20110065706-A1 Therapeutic Agents 812 GPR119, GPR84, GPR132 EPHX1 1505/4885MMP1 3498/4885MMP9 2188/4885
US-20110212938-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND THEIR USE AS MODULATORS OF THE ACTIVITY OF GPR119 GPR119, GPR88, GPR180 EPHX1 2144/4885MMP1 4825/4885MMP9 3088/4885

“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.