SCHEMBL458892

SCHEMBL458892

Cn1nnnc1C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
GPR119 Q8TDV5 6/20 0.45
HPGD P15428 1/20 0.45
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44
RECQL P46063 1/20 0.43
EPHX1 P07099 1/20 0.43
HPGDS O60760 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL2391975 0.92 HPGDS (0.44) THRBKDM4EMAPTGPR119HPGD
SCHEMBL2391972 0.92 HPGDS (0.44) THRBKDM4EMAPTGPR119HPGD
SCHEMBL13216243 0.86 NR1H2 (0.41) THRBKDM4EMAPTGPR119HPGD
SCHEMBL9933706 0.84 THRB (0.46) THRBKDM4EMAPTGPR119HPGD
SCHEMBL20292011 0.82 HPGD (0.41) THRBKDM4EMAPTGPR119HPGD
SCHEMBL22541491 0.82 GPR119 (0.46) THRBKDM4EMAPTGPR119HPGD
SCHEMBL3170488 0.80 THRB (0.43) THRBKDM4EMAPTGPR119HPGD
SCHEMBL3557759 0.79 GPR119 (0.57) THRBMAPTGPR119HPGDHPGDS
SCHEMBL4773832 0.79 GPR119 (0.43) THRBKDM4EMAPTGPR119HPGD
SCHEMBL9963080 0.78 NR1H2 (0.40) KDM4EGPR119HPGDJAK3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877778-B2 Benzofurane compounds HOFFMANN-LA ROCHE INC. (US) 2014-11-04 US claimed
US-20120157449-A1 BENZOFURANE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-06-21 US claimed
EP-4714446-A2 PHARMACEUTICAL COMPOUNDS Nxera Pharma UK Limited (GB) 2026-03-25 EP disclosed
EP-4413985-A2 PHARMACEUTICAL COMPOUNDS Nxera Pharma UK Limited (GB) 2024-08-14 EP disclosed
CN-109851610-B Bicyclic aza compounds as muscarinic M1 and/or M4 receptor agonists 赫普泰雅治疗有限公司 2021-09-21 CN disclosed
US-10961225-B2 Bicyclic AZA compounds as muscarinic M1 receptor and/or M4 receptor HEPTARES THERAPEUTICS LIMITED (GB) 2021-03-30 US disclosed
US-10961225-B2 Bicyclic AZA compounds as muscarinic M1 receptor and/or M4 receptor HEPTARES THERAPEUTICS LIMITED (GB) 2021-03-30 US disclosed
US-20200325118-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR NXERA PHARMA UK LIMITED (GB) 2020-10-15 US disclosed
US-20200325118-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR NXERA PHARMA UK LIMITED (GB) 2020-10-15 US disclosed
US-10689368-B2 Bicyclic aza compounds as muscarinic M1 receptor and/or M4 receptor HEPTARES THERAPEUTICS LIMITED (GB) 2020-06-23 US disclosed
US-10689368-B2 Bicyclic aza compounds as muscarinic M1 receptor and/or M4 receptor HEPTARES THERAPEUTICS LIMITED (GB) 2020-06-23 US disclosed
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 US disclosed
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 US disclosed
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 US disclosed
WO-2012058130-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2012-05-03 WO disclosed
WO-2012012314-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2012-01-26 WO disclosed
WO-2011025690-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2011-03-03 WO disclosed
WO-2011025690-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2011-03-03 WO disclosed
US-20100179118-A1 CYCLIC AMINOALKYLCARBOXAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-15 US disclosed
US-20100179118-A1 CYCLIC AMINOALKYLCARBOXAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-15 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 (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-20200325118-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR CHRM1, CHRM2, CHRM4 THRB 314/4885KDM4E 1019/4885MAPT 3528/4885
US-20120157449-A1 BENZOFURANE COMPOUNDS HTR3A, HTR3C, HTR2A THRB 492/4885KDM4E 944/4885MAPT 4424/4885
US-10961225-B2 Bicyclic AZA compounds as muscarinic M1 receptor and/or M4 receptor CHRM1, CHRM2, CHRM4 THRB 314/4885KDM4E 1019/4885MAPT 3528/4885
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 THRB 79/4885KDM4E 3804/4885MAPT 2512/4885
US-10689368-B2 Bicyclic aza compounds as muscarinic M1 receptor and/or M4 receptor CHRM1, CHRM2, CHRM4 THRB 314/4885KDM4E 1019/4885MAPT 3528/4885
US-20100179118-A1 CYCLIC AMINOALKYLCARBOXAMIDE DERIVATIVE HRH2, HRH1, HRH4 THRB 3323/4885KDM4E 802/4885MAPT 4723/4885

“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.