SCHEMBL84388

SCHEMBL84388

CN1CC(=O)N(C)C(=O)C1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.35
GSK3B P49841 2/20 0.35
CRBN Q96SW2 1/20 0.33
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
MGLL Q99685 1/20 0.33
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
EGFR P00533 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
PTK2 Q05397 1/20 0.30

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
SCHEMBL15062099 0.75 GSK3A (0.32) GSK3AGSK3BCRBNBRD4BRD2
SCHEMBL3333138 0.75 PIK3CD (0.40) GSK3AGSK3BCRBNBRD4BRD2
SCHEMBL9881315 0.72 KDM4E (0.31) KDM4E
SCHEMBL7945735 0.72
SCHEMBL8271652 0.72
SCHEMBL23894741 0.72 GSK3A (0.38) GSK3AGSK3BCRBNBRD4BRD2
SCHEMBL9020270 0.72
SCHEMBL27941 0.72
SCHEMBL12208456 0.71 PIK3CD (0.38) GSK3AGSK3BPTGS1
SCHEMBL12552509 0.71 GSK3A (0.34) GSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331760-A1 ARYL GLUCOSIDE DERIVATIVE AND USE THEREOF IN DRUG SHANGHAI ZHEYE BIOTECHNOLOGY CO. LTD. (CN) 2023-10-19 US disclosed
US-20230331760-A1 ARYL GLUCOSIDE DERIVATIVE AND USE THEREOF IN DRUG SHANGHAI ZHEYE BIOTECHNOLOGY CO. LTD. (CN) 2023-10-19 US disclosed
EP-4119550-A1 ARYL GLUCOSIDE DERIVATIVE AND USE THEREOF IN DRUG Shanghai Zheye Biotechnology Co., Ltd. (CN) 2023-01-18 EP disclosed
WO-2021227441-A1 ARYL GLUCOSIDE DERIVATIVE AND USE THEREOF IN DRUG 上海喆邺生物科技有限公司 2021-11-18 WO disclosed
US-20190134052-A1 DOSAGE REGIMEN FOR A PI-3 KINASE INHIBITOR NOVARTIS AG (CH) 2019-05-09 US disclosed
US-20170049781-A1 HSP90 INHIBITOR COMBINATIONS NOVARTIS AG (CH) 2017-02-23 US disclosed
US-20170049781-A1 HSP90 INHIBITOR COMBINATIONS NOVARTIS AG (CH) 2017-02-23 US disclosed
US-20160346292-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A PYRIDO [4,3-D] PYRIMIDINE DERIVED HSP90-INHIBITOR AND A HER2 INHIBITOR NOVARTIS AG (CH) 2016-12-01 US disclosed
US-20160346292-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A PYRIDO [4,3-D] PYRIMIDINE DERIVED HSP90-INHIBITOR AND A HER2 INHIBITOR NOVARTIS AG (CH) 2016-12-01 US disclosed
US-20150209362-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A PYRIDO [4,3-D] PYRIMIDINE DERIVED HSP90-INHIBITOR AND A HER2 INHIBITOR NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20070161647-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 and NK-2 RECEPTOR ANTAGONISTS GLAXOSMITHKLINE S.P.A. 2007-07-12 US disclosed
US-20070161647-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 and NK-2 RECEPTOR ANTAGONISTS GLAXOSMITHKLINE S.P.A. 2007-07-12 US disclosed
US-7230005-B2 Compounds and methods for lowering the abuse potential and extending the duration of action of a drug CONTROLLED CHEMICALS, INC. (US) 2007-06-12 US disclosed
US-20070123546-A1 2-amino-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-ones CHIRON CORPORATION 2007-05-31 US disclosed
US-20070123546-A1 2-amino-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-ones CHIRON CORPORATION 2007-05-31 US disclosed
WO-2007041362-A1 2-AMINO-7,8-DIHYDRO-6H-PYRIDO[4,3-D] PYRIMIDIN-5-ONES NOVARTIS AG (CH) 2007-04-12 WO disclosed
US-20070027150-A1 2-Amino-quinazolin-5-ones NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2007-02-01 US disclosed
US-20070027150-A1 2-Amino-quinazolin-5-ones NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2007-02-01 US disclosed
US-4130711-A DEHYDROGENATION OF A N-HYDROXYALKYL N-AMIDOALKYL AMINE, REDUCED COPPER CATALYST THE DOW CHEMICAL COMPANY (US) 1978-12-19 US disclosed
US-4082748-A CATALYTIC DEHYDROCYCLIZATION THE DOW CHEMICAL COMPANY (US) 1978-04-04 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-20160346292-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A PYRIDO [4,3-D] PYRIMIDINE DERIVED HSP90-INHIBITOR AND A HER2 INHIBITOR HSP90B1, HSP90AB1, HSP90AB2P GSK3A 908/4885GSK3B 702/4885CRBN 2355/4885
US-20230331760-A1 ARYL GLUCOSIDE DERIVATIVE AND USE THEREOF IN DRUG SLC5A1, SLC5A2, SLC10A1 GSK3A 668/4885GSK3B 564/4885CRBN 3353/4885
US-20070123546-A1 2-amino-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-ones TYMP, TPMT, TYMS GSK3A 2848/4885GSK3B 2800/4885CRBN 4112/4885
US-20150209362-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A PYRIDO [4,3-D] PYRIMIDINE DERIVED HSP90-INHIBITOR AND A HER2 INHIBITOR HSP90B1, HSP90AB1, HSP90AB2P GSK3A 908/4885GSK3B 702/4885CRBN 2355/4885
US-20070161647-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 and NK-2 RECEPTOR ANTAGONISTS KCNQ3, KCNK3, KCNK2 GSK3A 3077/4885GSK3B 3298/4885CRBN 3534/4885
US-20170049781-A1 HSP90 INHIBITOR COMBINATIONS HSP90AB1, HSP90B1, HSP90AA1 GSK3A 956/4885GSK3B 987/4885CRBN 2147/4885
US-20190134052-A1 DOSAGE REGIMEN FOR A PI-3 KINASE INHIBITOR PIK3CA, PIK3CD, PIK3R5 GSK3A 155/4885GSK3B 161/4885CRBN 1644/4885
US-20070027150-A1 2-Amino-quinazolin-5-ones TK1, TK2, SLC1A5 GSK3A 573/4885GSK3B 677/4885CRBN 2659/4885

“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.