SCHEMBL5577093

SCHEMBL5577093

CC1CCCC(C)N1CC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.37
PLA2G10 O15496 1/20 0.36
PLA2G5 P39877 1/20 0.36
KMT2A Q03164 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
RECQL P46063 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
HPGD P15428 1/20 0.34
BTK Q06187 1/20 0.34
MEN1 O00255 1/20 0.33
ESR2 Q92731 2/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL22128692 0.81 PLA2G10 (0.38) HRH3PLA2G10PLA2G5KMT2A
SCHEMBL19883851 0.80 HSD17B10 (0.34) HRH3PLA2G10PLA2G5CHRM2CHRM1
SCHEMBL13069905 0.79 HRH3 (0.38) HRH3RECQLHPGDESR2
SCHEMBL16480466 0.79 HRH3 (0.48) HRH3KMT2AL3MBTL1CHRM2HPGD
SCHEMBL19060492 0.79 HRH3 (0.48) HRH3KMT2AL3MBTL1CHRM2HPGD
SCHEMBL22128751 0.78 NR1H2 (0.36) PLA2G10PLA2G5KMT2AMEN1
SCHEMBL30115827 0.78 NR1H2 (0.49) KMT2ARECQLHPGDMEN1
SCHEMBL24249167 0.77 MAPK1 (0.44) PLA2G10PLA2G5KMT2AL3MBTL1CHRM2
SCHEMBL4085410 0.76 ALDH1A1 (0.43) HRH3KMT2AL3MBTL1CHRM1HPGD
SCHEMBL4085412 0.76 ALDH1A1 (0.43) HRH3KMT2AL3MBTL1CHRM1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114456103-A Sulfonylated protein specific marker molecule, and preparation method and application thereof 中国人民解放军军事科学院军事医学研究院 2022-05-10 CN claimed
CN-114456103-A Sulfonylated protein specific marker molecule, and preparation method and application thereof 中国人民解放军军事科学院军事医学研究院 2022-05-10 CN disclosed
US-9023656-B2 Reactive mass labels ELECTROPHORETICS LIMITED (GB) 2015-05-05 US disclosed
US-9023656-B2 Reactive mass labels ELECTROPHORETICS LIMITED (GB) 2015-05-05 US disclosed
US-8697604-B2 Labeling agents for mass spectrometry comprising tertiary amines ELECTROPHORETICS LIMITED (GB) 2014-04-15 US disclosed
EP-1606623-B1 LABELLING AGENTS FOR MASS SPECTROMETRY COMPRISING TERTIARY AMINES ELECTROPHORETICS LTD (GB) 2013-05-22 EP disclosed
EP-1606623-B1 LABELLING AGENTS FOR MASS SPECTROMETRY COMPRISING TERTIARY AMINES ELECTROPHORETICS LTD (GB) 2013-05-22 EP disclosed
EP-1907860-B1 MASS LABELS ELECTROPHORETICS LTD (GB) 2010-11-17 EP disclosed
US-20100178710-A1 Mass Labels ELECTROPHORETICS LIMITED (GB) 2010-07-15 US disclosed
US-20100178710-A1 Mass Labels ELECTROPHORETICS LIMITED (GB) 2010-07-15 US disclosed
CN-101313223-A Mass labels for biomolecules comprising a 2, 6-dimethyl-piperidin-1-yl-methylene or pyrimidin-2-ylthiomethylene mass label moiety and a succinimidyl-oxy-carbonyl active functional group ELECTROPHORETICS LTD (GB) 2008-11-26 CN disclosed
WO-2007012849-A2 MASS LABELS FOR BIOMOLECULES CONTAINING A 2,6-DIMETHYL-PIPERIDIN-l-YL METHYLENE OR A PYRIMIDIN-2-YL THIOMETHYLENE MASS MARKER MOIETY AND A SUCCINIMID-OXY-CARBONYL REACTIVE FUNCTIONAL GROUP ELECTROPHORETICS LIMITED (GB) 2007-02-01 WO disclosed
US-20070023628-A1 Labeling agents for mass spectrometry comprising tertiary amines ELECTROPHORETICS LIMITED (GB) 2007-02-01 US disclosed
US-20070023628-A1 Labeling agents for mass spectrometry comprising tertiary amines ELECTROPHORETICS LIMITED (GB) 2007-02-01 US disclosed
US-20070023628-A1 Labeling agents for mass spectrometry comprising tertiary amines ELECTROPHORETICS LIMITED (GB) 2007-02-01 US disclosed
EP-1606623-A2 LABELLING AGENTS FOR MASS SPECTROMETRY COMPRISING TERTIARY AMINES Xzillion GmbH & CO.KG (DE) 2005-12-21 EP disclosed
WO-2004086050-A2 LABELLING AGENTS FOR MASS SPECTROMETRY COMPRISING TERTIARY AMINES XZILLION GMBH & CO. KG (DE) 2004-10-07 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-20100178710-A1 Mass Labels B2M, SRRM2, CCNB1 HRH3 1590/4885PLA2G10 3846/4885PLA2G5 3934/4885

“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.