SCHEMBL595189

SCHEMBL595189

COC(=O)C(C)(C)CC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
PKM P14618 1/20 0.50
EPHX1 P07099 1/20 0.49
HPGD P15428 1/20 0.48
GLS O94925 2/20 0.46
GPR119 Q8TDV5 4/20 0.46
ALDH1A1 P00352 1/20 0.46
RECQL P46063 1/20 0.46
FAAH O00519 1/20 0.46
NR1H2 P55055 1/20 0.46
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL22284425 0.87 KDM4E (0.49) KDM4EPKMEPHX1HPGDGLS
SCHEMBL22233243 0.86 HPGD (0.46) KDM4EPKMEPHX1HPGDGLS
SCHEMBL7495704 0.85 KDM4E (0.52) KDM4EPKMEPHX1HPGDGLS
SCHEMBL7834433 0.84 HPGD (0.55) KDM4EPKMEPHX1HPGDGPR119
SCHEMBL3169200 0.83 SMN1; SMN2 (0.36) KDM4EPKMALDH1A1SMN1; SMN2
SCHEMBL7521126 0.82 HPGD (0.50) KDM4EPKMEPHX1HPGDGPR119
SCHEMBL7512914 0.81 HPGD (0.53) KDM4EPKMEPHX1HPGDGPR119
SCHEMBL18497332 0.81 KDM4E (0.49) KDM4EPKMEPHX1HPGDGLS
SCHEMBL6218596 0.81 NR1H2 (0.61) KDM4EPKMEPHX1HPGDGLS
SCHEMBL190460 0.81 NR1H2 (0.61) KDM4EPKMEPHX1HPGDGLS

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153644-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-8115011-B2 (S)-3-{5-[(1-Pyridin-2-yl-3-trifluoromethyl-1H-pyrazole-4-carbonyl)-amino]-pyridin-2-ylamino}-pyrrolidine-1-carboxylic acid ethyl ester; obesity, type II diabetes mellitus and metabolic syndrome MADRIGAL PHARMACEUTICALS, INC. (US) 2012-02-14 US disclosed
US-8058299-B2 Diacylglycerol acyltransferase inhibitors VIA PHARMACEUTICALS, INC. (US) 2011-11-15 US disclosed
US-7700591-B2 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors MERCK & CO., INC. (US) 2010-04-20 US disclosed
US-7700591-B2 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors MERCK & CO., INC. (US) 2010-04-20 US disclosed
US-7700591-B2 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors MERCK & CO., INC. (US) 2010-04-20 US disclosed
EP-1615699-B1 BENZOXAZINYL-AMIDOCYCLOPENTYL-HETEROCYCLIC MODULATORS OF CHEMOKINE RECEPTORS MERCK SHARP & DOHME (US) 2010-03-24 EP disclosed
EP-2155687-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2010-02-24 EP disclosed
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-07-02 US disclosed
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-23 US disclosed
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors VIA PHARMACEUTICALS, INC. 2009-04-16 US disclosed
US-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-09 US disclosed
WO-2008141976-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2008-11-27 WO disclosed
US-20070238723-A1 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors GOBLE STEPHEN D 2007-10-11 US disclosed
US-20070238723-A1 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors GOBLE STEPHEN D 2007-10-11 US disclosed
US-20060069088-A1 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors MERCK SHARP & DOHME LLC 2006-03-30 US disclosed
EP-1615699-A2 BENZOXAZINYL-AMIDOCYCLOPENTYL-HETEROCYCLIC MODULATORS OF CHEMOKINE RECEPTORS Merck & Co., Inc. (US) 2006-01-18 EP disclosed
WO-2004092124-A2 BENZOXAZINYL-AMIDOCYCLOPENTYL-HETEROCYCLIC MODULATORS OF CHEMOKINE RECEPTORS MERCK & CO., INC. (US) 2004-10-28 WO 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-20060069088-A1 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors CCR1, CCR2, CCRL2 KDM4E 3926/4885PKM 3755/4885EPHX1 536/4885
US-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT KDM4E 2823/4885PKM 3122/4885EPHX1 1078/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT KDM4E 2823/4885PKM 3122/4885EPHX1 1078/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT KDM4E 2823/4885PKM 3122/4885EPHX1 1078/4885
US-20070238723-A1 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors CCR1, CCR2, CCRL2 KDM4E 3926/4885PKM 3755/4885EPHX1 536/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT KDM4E 2823/4885PKM 3122/4885EPHX1 1078/4885

“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.