SCHEMBL2807130

SCHEMBL2807130

COC(=O)c1cccc(OC2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
GPR119 Q8TDV5 4/20 0.54
PDE4A P27815 2/20 0.50
PDE4B Q07343 2/20 0.50
PDE4C Q08493 2/20 0.50
PDE4D Q08499 2/20 0.50
KDM1A O60341 1/20 0.49
KDM4E B2RXH2 1/20 0.49
PKM P14618 1/20 0.49
ALDH1A1 P00352 1/20 0.48
EPHX2 P34913 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
CHEK2 O96017 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL29826469 1.00 MEN1 (0.55) MEN1KMT2AGPR119PDE4APDE4B
SCHEMBL5548433 0.93 USP30 (0.53) MEN1KMT2AGPR119PDE4APDE4B
SCHEMBL5542864 0.93 USP30 (0.53) MEN1KMT2AGPR119PDE4APDE4B
SCHEMBL24793303 0.88 USP30 (0.48) MEN1KMT2AGPR119PDE4BKDM4E
SCHEMBL2969976 0.88 GPR119 (0.56) MEN1KMT2AGPR119PDE4APDE4B
SCHEMBL30955036 0.88 GPR119 (0.56) MEN1KMT2AGPR119PDE4APDE4B
SCHEMBL2979574 0.88 GPR119 (0.54) MEN1KMT2AGPR119PDE4APDE4B
SCHEMBL15994319 0.87 GPR119 (0.55) MEN1KMT2AGPR119PDE4APDE4B
SCHEMBL240683 0.86 GPR119 (0.61) KMT2AGPR119PDE4APDE4BPDE4C
SCHEMBL2284947 0.85 GPR119 (0.55) MEN1KMT2AGPR119PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067630-A1 ARYL ETHER-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS GLP1R AGONISTS MINDRANK AI LTD. (CN) 2024-02-29 US disclosed
US-20240067630-A1 ARYL ETHER-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS GLP1R AGONISTS MINDRANK AI LTD. (CN) 2024-02-29 US disclosed
CN-117242067-A Novel aryl ether substituted heterocycles as GLP1R agonists 杭州德睿智药科技有限公司 2023-12-15 CN 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-9573956-B2 Compounds as dual inhibitors of phosphodiesterases and histone deacetylases FUNDACIÓN PARA LA INVESTIGACIÓN MÉDICA APLICADA (ES) 2017-02-21 US disclosed
US-20160002246-A1 NOVEL COMPOUNDS AS DUAL INHIBITORS OF PHOSPHODIESTERASES AND HISTONE DEACETYLASES FUNDACIÓN PARA LA INVESTIGACIÓN MÉDICA APLICADA (ES) 2016-01-07 US disclosed
EP-2961741-A1 NOVEL COMPOUNDS AS DUAL INHIBITORS OF PHOSPHODIESTERASES AND HISTONE DEACETYLASES Fundacion para la Investigacion Medica Aplicada (ES) 2016-01-06 EP disclosed
WO-2014131855-A1 NOVEL COMPOUNDS AS DUAL INHIBITORS OF PHOSPHODIESTERASES AND HISTONE DEACETYLASES FUNDACIÓN PARA LA INVESTIGACIÓN MÉDICA APLICADA (ES) 2014-09-04 WO disclosed
US-20120321559-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS APODACA RICHARD (US) 2012-12-20 US disclosed
US-8273762-B2 Hexahydro-pyrrolo-isoquinoline compounds JANSSEN PHARMACEUTICA NV (BE) 2012-09-25 US 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 (5 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 MEN1 3014/4885KMT2A 1059/4885GPR119 135/4885
US-20100240648-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS HRH3, HRH1, HRH4 MEN1 3014/4885KMT2A 1059/4885GPR119 135/4885
US-20240067630-A1 ARYL ETHER-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS GLP1R AGONISTS GLP1R, GIPR, GCGR MEN1 1246/4885KMT2A 1759/4885GPR119 4/4885
US-20120321559-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS HRH3, HRH1, HRH4 MEN1 3014/4885KMT2A 1059/4885GPR119 135/4885
US-20160002246-A1 NOVEL COMPOUNDS AS DUAL INHIBITORS OF PHOSPHODIESTERASES AND HISTONE DEACETYLASES PDE1A, HDAC1, HDAC2 MEN1 4226/4885KMT2A 98/4885GPR119 1007/4885

“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.