SCHEMBL3229891

SCHEMBL3229891

COC1CCC(NC(=O)O)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.51
CD38 P28907 6/20 0.39
BRD4 O60885 2/20 0.38
POLB P06746 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2B6 P20813 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CCNA2 P20248 3/20 0.36
CDK2 P24941 3/20 0.36
GSK3A P49840 2/20 0.36
GSK3B P49841 2/20 0.36
SMYD3 Q9H7B4 1/20 0.36
MMP2 P08253 1/20 0.35
MMP8 P22894 1/20 0.35
EPHX1 P07099 2/20 0.35

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
SCHEMBL3229882 1.00 EPHX2 (0.51) EPHX2CD38BRD4POLBCYP2D6
SCHEMBL3539009 1.00 EPHX2 (0.51) EPHX2CD38BRD4POLBCYP2D6
SCHEMBL20488506 0.88 EPHX2 (0.45) EPHX2CD38BRD4POLBNPSR1
SCHEMBL20488504 0.88 EPHX2 (0.45) EPHX2CD38BRD4POLBNPSR1
SCHEMBL12409147 0.83 EPHX2 (0.51) EPHX2CD38CYP2D6CYP2B6CYP2C19
SCHEMBL12409405 0.83 EPHX2 (0.51) EPHX2CD38CYP2D6CYP2B6CYP2C19
SCHEMBL10082245 0.83 EPHX2 (0.51) EPHX2CD38CYP2D6CYP2B6CYP2C19
SCHEMBL4715595 0.82 PDE7A (0.43) EPHX2POLB
Hydrochloric Acid SCHEMBL3546089 0.81 EPHX2 (0.50) EPHX2CD38BRD4CYP2D6CYP2B6
Hydrochloric Acid SCHEMBL2070160 0.81 EPHX2 (0.50) EPHX2CD38BRD4CYP2D6CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022232320-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME CORP. (US) 2022-11-03 WO disclosed
US-20210198239-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2021-07-01 US disclosed
US-10618903-B2 Heteroaryl substituted aminopyridine compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2020-04-14 US disclosed
EP-3475270-B1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-02-26 EP disclosed
US-20190292191-A1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2019-09-26 US disclosed
CN-109796373-A The carbamic synthetic method of cis-4- methoxycyclohexyl -1- 南通江山农药化工股份有限公司 2019-05-24 CN disclosed
EP-3030560-B1 BENZIMIDAZOLYL-METHYL UREA DERIVATIVES AS ALX RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2017-06-21 EP disclosed
US-9663473-B2 Benzimidazolyl-methyl urea derivatives as ALX receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2017-05-30 US disclosed
US-9580416-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2017-02-28 US disclosed
US-9556187-B2 Substituted pyrrolo[3′,2′:5,6]pyrido[4,3-d]pyrimidines and JAK inhibitors comprising the same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-01-31 US disclosed
EP-2742049-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS Nissan Chemical Industries, Ltd. (JP) 2014-06-18 EP disclosed
WO-2013024895-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-02-21 WO 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
WO-2010027097-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-11 WO disclosed
US-20090227601-A1 Bradykinin 1 Receptor Antagonists AMGEN INC. (US) 2009-09-10 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-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-7148377-B2 4-Alkoxy cyclohexane-1-amino-carboxylic acid esters and method for the production thereof BAYER CROPSCIENCE AG (DE) 2006-12-12 US disclosed
US-20040039223-A1 4-Alkoxy cyclohexane-1 amino carboxylic acid esters and method for the production thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2004-02-26 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 (7 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-20210198239-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR ENTPD5, ADORA2A, ENTPD1 EPHX2 959/4885CD38 14/4885BRD4 3271/4885
US-20190292191-A1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS IRAK4, IRAK3, IRAK2 EPHX2 2336/4885CD38 1161/4885BRD4 12/4885
US-10618903-B2 Heteroaryl substituted aminopyridine compounds IRAK4, IRAK3, IRAK2 EPHX2 2336/4885CD38 1161/4885BRD4 12/4885
US-20070043219-A1 4-Alkoxy cyclohexane-1 amino carboxylic acid esters and method for the production thereof ALDH7A1, DDC, ABAT EPHX2 268/4885CD38 1909/4885BRD4 3956/4885
US-20090156402-A1 4-ALKOXY-CYCLOHEXANE-1-AMINO-CARBOXYLIC ESTERS AND PROCESSES FOR THEIR PREPARATION DDT, CYP4B1, ALDH7A1 EPHX2 177/4885CD38 1780/4885BRD4 3560/4885
US-20090227601-A1 Bradykinin 1 Receptor Antagonists BDKRB1, BDKRB2, VIPR1 EPHX2 947/4885CD38 1036/4885BRD4 614/4885
US-20040039223-A1 4-Alkoxy cyclohexane-1 amino carboxylic acid esters and method for the production thereof ALDH7A1, CYP51A1, ABAT EPHX2 354/4885CD38 1915/4885BRD4 3778/4885

“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.