SCHEMBL5054595

SCHEMBL5054595

CON(C)C(=O)c1ccc(N2CCOCC2)cc1O

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 4/20 0.65
PIK3CD O00329 2/20 0.56
PIK3CA P42336 2/20 0.56
PIK3CB P42338 2/20 0.56
PIK3CG P48736 2/20 0.56
HSP90AA1 P07900 7/20 0.47
HSP90AB1 P08238 6/20 0.47
MAPT P10636 5/20 0.47
PKM P14618 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
HIF1A Q16665 1/20 0.45
MAOB P27338 1/20 0.43
PTPN1 P18031 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
SCHEMBL5054826 0.81 PRKDC (0.72) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL25062364 0.81 GSK3B (0.51) MAPTPKMALDH1A1KDM4EHTT
SCHEMBL7568311 0.80 PRKDC (0.62) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL29776854 0.79 PRKDC (1.00) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL600210 0.79 PRKDC (1.00) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3927915 0.78 KMO (0.62) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5058586 0.78 PRKDC (0.67) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL21160054 0.78 PRKDC (0.67) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5058525 0.78 PRKDC (0.75) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4992024 0.76 PRKDC (0.73) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104557871-B Arylmorpholine compounds with spiro substituents as well as preparation method and use thereof 上海汇伦生命科技有限公司 2017-05-03 CN claimed
CN-104557871-A Arylmorpholine compounds with spiro substituents as well as preparation method and use thereof SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO LTD 2015-04-29 CN claimed
CN-102670617-B Application of ibuprofen 2-(2-arylmorpholine-4-yl) ethyl ester in preparation of antidepressant drugs UNIV HUNAN 2013-03-20 CN claimed
CN-102532061-A Method for easily preparing aryl morpholine and aryl piperidine UNIV EAST CHINA SCIENCE & TECH 2012-07-04 CN claimed
EP-1351946-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2003-10-15 EP claimed
CN-1402720-A 2,4-diaminopyrimidine compounds useful as immunosuppressants PFIZER PROD INC (US) 2003-03-12 CN claimed
US-20020165218-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. 2002-11-07 US claimed
WO-2002020500-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2002-03-14 WO claimed
CN-111153891-B Substituted benzimidazole PI3K alpha/mTOR double-target inhibitor and pharmaceutical composition and application thereof 贵州医科大学 2023-03-31 CN disclosed
CN-111153891-A Substituted benzimidazole PI3K α/mTOR double-target inhibitor and pharmaceutical composition and application thereof 贵州医科大学 2020-05-15 CN disclosed
CN-108191837-A PI3K α/mTOR bidifly enzyme inhibitors and its pharmaceutical composition and application 贵州医科大学 2018-06-22 CN disclosed
CN-107001522-A Polymerization catalyst composition and method of using the same 株式会社普利司通 2017-08-01 CN disclosed
CN-104557955-B Tricyclic compound as PI3K/mTOR inhibitor as well as preparation method and application of tricyclic compound 上海汇伦生命科技有限公司 2017-05-03 CN disclosed
CN-104557871-B Arylmorpholine compounds with spiro substituents as well as preparation method and use thereof 上海汇伦生命科技有限公司 2017-05-03 CN disclosed
US-7179912-B2 Materials and methods to potentiate cancer treatment ICOS CORPORATION (US) 2007-02-20 US disclosed
CN-1738808-A Cyclization process for substituted benzothiazole derivatives HOFFMANN LA ROCHE (CH) 2006-02-22 CN disclosed
EP-1351946-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2003-10-15 EP disclosed
CN-1402720-A 2,4-diaminopyrimidine compounds useful as immunosuppressants PFIZER PROD INC (US) 2003-03-12 CN disclosed
US-20020165218-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. 2002-11-07 US disclosed
WO-2002020500-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2002-03-14 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 (1 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-20020165218-A1 Materials and methods to potentiate cancer treatment DCK, CHEK2, CHEK1 PRKDC 17/4885PIK3CD 829/4885PIK3CA 454/4885

“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.