Sugi Predict

Sugi Predict / Compounds / SCHEMBL595083

SCHEMBL595083

SCHEMBL595083

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ EPHX1 P07099 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ YAP1 P46937 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ GPR119 Q8TDV5 3/20 0.43
▸ PTPN2 P17706 1/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ PTPN6 P29350 1/20 0.43
▸ EED O75530 1/20 0.43
▸ RBBP4 Q09028 1/20 0.43
▸ SUZ12 Q15022 1/20 0.43

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
SCHEMBL21564360 0.88 HPGD (0.45) KDM4EPKMEPHX1ALDH1A1NPC1
SCHEMBL31082333 0.88 HPGD (0.45) KDM4EPKMEPHX1ALDH1A1NPC1
SCHEMBL20061026 0.88 KDM4E (0.47) KDM4EPKMEPHX1ALDH1A1NPC1
SCHEMBL5570680 0.87 KDM4E (0.49) KDM4EPKMEPHX1ALDH1A1NPC1
SCHEMBL18497396 0.87 KDM4E (0.49) KDM4EPKMEPHX1ALDH1A1NPC1
SCHEMBL7497123 0.86 KDM4E (0.50) KDM4EPKMEPHX1ALDH1A1NPC1
SCHEMBL1833049 0.86 KDM4E (0.50) KDM4EPKMEPHX1ALDH1A1NPC1
SCHEMBL3654209 0.86 KDM4E (0.50) KDM4EPKMEPHX1ALDH1A1NPC1
SCHEMBL31082050 0.85 EPHX1 (0.47) KDM4EPKMEPHX1ALDH1A1NPC1
SCHEMBL21559819 0.85 KDM4E (0.47) KDM4EPKMEPHX1ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013201-B1 HETEROCYCLIC GPCR AGONISTS PROSIDION LTD (GB) 2012-07-25 — — EP disclosed
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-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-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
EP-2013201-A1 HETEROCYCLIC GPCR AGONISTS Prosidion Limited (GB) 2009-01-14 — — EP disclosed
WO-2008141976-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2008-11-27 — — WO disclosed
WO-2007116229-A1 HETEROCYCLIC GPCR AGONISTS PROSIDION LIMITED (GB) 2007-10-18 — — 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 (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-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-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

“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.