SCHEMBL1868573

SCHEMBL1868573

CCN(CC)C(=O)c1cccc(OC)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.71
LMNA P02545 3/20 0.71
TSHR P16473 2/20 0.71
OPRM1 P35372 3/20 0.63
OPRD1 P41143 3/20 0.63
TDP1 Q9NUW8 1/20 0.63
CES2 O00748 1/20 0.61
CES1 P23141 1/20 0.61
PARP1 P09874 1/20 0.57
CYP1A2 P05177 1/20 0.56
HSP90AA1 P07900 1/20 0.56
HSP90AB1 P08238 1/20 0.56
BLM P54132 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
KDM4E B2RXH2 1/20 0.56
HSD17B10 Q99714 1/20 0.56

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
SCHEMBL1987981 0.90 HPGD (0.65) HPGDLMNATSHROPRM1OPRD1
SCHEMBL21556183 0.87 HSD17B10 (0.58) HPGDLMNATSHROPRM1OPRD1
SCHEMBL10013749 0.87 HPGD (0.59) HPGDLMNATSHROPRM1OPRD1
SCHEMBL9416561 0.87 TSHR (0.64) HPGDLMNATSHROPRM1OPRD1
SCHEMBL7531598 0.87 HPGD (0.60) HPGDLMNATSHROPRM1OPRD1
SCHEMBL15563100 0.84 HPGD (0.57) HPGDLMNATSHROPRM1OPRD1
SCHEMBL5095020 0.84 HPGD (0.59) HPGDLMNATSHROPRM1OPRD1
SCHEMBL7406512 0.84 HPGD (0.79) HPGDLMNATSHROPRM1OPRD1
SCHEMBL7269968 0.83 OPRD1 (0.56) HPGDLMNATSHROPRM1OPRD1
SCHEMBL7269978 0.83 OPRD1 (0.56) HPGDLMNATSHROPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115413278-A Novel pyrimidine derivative and composition for preventing or treating neurodegenerative disease and cancer comprising same 丸仁制药株式会社 2022-11-29 CN claimed
CN-104860891-A Arylaminopyrimidine compound and use thereof and pharmaceutical composition and medicinal composition prepared from arylaminopyrimidine compound SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO LTD 2015-08-26 CN claimed
CN-102753547-B Triazolopyridine derivatives BAYER IP GMBH 2015-06-03 CN claimed
CN-102753547-A Triazolopyridine derivatives BAYER SCHERING PHARMA AG 2012-10-24 CN claimed
CN-115697969-A 7-or 8-hydroxy-isoquinoline and 7-or 8-hydroxy-quinoline derivatives as alpha-1 antitrypsin modulators for the treatment of alpha-1 antitrypsin deficiency (AATD) 弗特克斯药品有限公司 2023-02-03 CN disclosed
CN-115413278-A Novel pyrimidine derivative and composition for preventing or treating neurodegenerative disease and cancer comprising same 丸仁制药株式会社 2022-11-29 CN disclosed
CN-105408332-A Substituted triazolopyridines Bayer Pharma AG 2016-03-16 CN disclosed
CN-103608350-B Triazolopyridine compounds BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-25 CN disclosed
CN-104860891-A Arylaminopyrimidine compound and use thereof and pharmaceutical composition and medicinal composition prepared from arylaminopyrimidine compound SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO LTD 2015-08-26 CN disclosed
US-20150166500-A1 Compounds and Methods for Catalytic Directed ortho Substitution of Aromatic Amides and Esters QUEEN'S UNIVERSITY AT KINGSTON (CA) 2015-06-18 US disclosed
EP-2493877-B1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-17 EP disclosed
EP-2493877-B1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-17 EP disclosed
CN-1147298-C Prevention and curing agent for c attenuation living vaccine 卫材株式会社 2004-04-28 CN disclosed
WO-1998039337-A1 PROCESS FOR SYNTHESISING PURE ENANTIOMER ANTHRACYCLINE HOECHST AKTIENGESELLSCHAFT (DE) 1998-09-11 WO disclosed
US-5760054-A BENIGN PROSTATIC HYPERTROPHY MERCK & CO., INC. (US) 1998-06-02 US disclosed
EP-0755392-A4 ALPHA1C ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1997-05-02 EP disclosed
EP-0755392-A1 ALPHA1C ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1997-01-29 EP disclosed
CN-1137895-A Prevention and curing agent for c attenuation living vaccine EISAI CO LTD (JP) 1996-12-18 CN disclosed
WO-1995028397-A1 ALPHA1C ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1995-10-26 WO disclosed
EP-0355750-A1 Substituted dihydroisoquinolinones and related compounds as potentiators of the lethal effects of radiation and certain chemotherapeutic agents; selected compounds, analogs and process WARNER-LAMBERT COMPANY (US) 1990-02-28 EP 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-20150166500-A1 Compounds and Methods for Catalytic Directed ortho Substitution of Aromatic Amides and Esters DDC, AOC2, AOC3 HPGD 2168/4885LMNA 2879/4885TSHR 2895/4885

“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.