SCHEMBL2811017

SCHEMBL2811017

COC(=O)c1cccc(OCC2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.57
KDM4E B2RXH2 1/20 0.54
PKM P14618 1/20 0.54
GPR119 Q8TDV5 8/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HDAC1 Q13547 1/20 0.49
TGFBR1 P36897 2/20 0.49
CHEK2 O96017 1/20 0.49
F2 P00734 1/20 0.47
CSF1R P07333 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL30318922 0.91 GPR119 (0.54) SLC2A1KDM4EPKMGPR119MEN1
SCHEMBL15996233 0.89 SLC2A1 (0.56) SLC2A1KDM4EPKMGPR119MEN1
SCHEMBL29992791 0.89 SLC2A1 (0.56) SLC2A1KDM4EPKMGPR119MEN1
SCHEMBL16787928 0.89 SLC2A1 (0.56) SLC2A1KDM4EPKMGPR119MEN1
SCHEMBL26668458 0.89 SLC2A1 (0.59) SLC2A1KDM4EPKMGPR119TGFBR1
SCHEMBL17390163 0.88 SLC2A1 (0.56) SLC2A1KDM4EPKMGPR119MEN1
SCHEMBL2999873 0.87 GPR119 (0.54) SLC2A1KDM4EPKMGPR119HDAC1
SCHEMBL241130 0.87 GPR119 (0.59) SLC2A1KDM4EPKMGPR119HDAC1
SCHEMBL791915 0.87 SLC2A1 (0.63) SLC2A1KDM4EPKMGPR119MEN1
SCHEMBL13097087 0.85 SLC2A1 (0.57) SLC2A1KDM4EPKMGPR119TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10308636-B2 Aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-04 US disclosed
EP-2862856-B1 IMIDAZOLE AND TRIAZOLE COMPOUNDS AS DGAT-1 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2018-08-01 EP disclosed
EP-2961741-B1 NOVEL COMPOUNDS AS DUAL INHIBITORS OF PHOSPHODIESTERASES AND HISTONE DEACETYLASES FUND PARA LA INVESTIG MEDICA APLICADA (ES) 2017-04-05 EP disclosed
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-23 US disclosed
US-9573956-B2 Compounds as dual inhibitors of phosphodiesterases and histone deacetylases FUNDACIÓN PARA LA INVESTIGACIÓN MÉDICA APLICADA (ES) 2017-02-21 US disclosed
US-20170022180-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2017-01-26 US disclosed
US-9546155-B2 Aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-17 US disclosed
US-20160229831-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-08-11 US disclosed
US-20160151369-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-06-02 US disclosed
EP-2970099-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2016-01-20 EP disclosed
EP-2477498-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Schering Corporation (US) 2012-07-25 EP disclosed
US-20120172369-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP. 2012-07-05 US disclosed
US-20120172369-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP. 2012-07-05 US disclosed
WO-2012024179-A1 SUBSTITUTED AMIDE DERIVATIVES AS DGAT-1 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-02-23 WO disclosed
WO-2011031628-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2011-03-17 WO disclosed
US-20100240648-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2010-09-23 US disclosed
US-7754882-B2 Hexahydro-pyrrolo-isoquinoline compounds JANSSEN PHARMACEUTICA NV (BE) 2010-07-13 US disclosed
EP-1893613-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-05 EP disclosed
WO-2006138604-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-28 WO disclosed
US-20060293316-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-28 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 (8 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-20060293316-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS HRH3, HRH1, HRH4 SLC2A1 281/4885KDM4E 2604/4885PKM 1737/4885
US-20100240648-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS HRH3, HRH1, HRH4 SLC2A1 281/4885KDM4E 2604/4885PKM 1737/4885
US-20160229831-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, PSEN2, CLN6 SLC2A1 1665/4885KDM4E 1988/4885PKM 120/4885
US-20120172369-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT SLC2A1 167/4885KDM4E 1503/4885PKM 1727/4885
US-10308636-B2 Aromatic heterocyclic compound GPR119, NR0B1, BET1 SLC2A1 255/4885KDM4E 1080/4885PKM 4064/4885
US-20170022180-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, PSEN2, CLN6 SLC2A1 1665/4885KDM4E 1988/4885PKM 120/4885
US-20160151369-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, PSEN2, CLN6 SLC2A1 1665/4885KDM4E 1988/4885PKM 120/4885
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 SLC2A1 255/4885KDM4E 1080/4885PKM 4064/4885

“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.