SCHEMBL2062804

SCHEMBL2062804

CC(C)(C)[C@@H]1OC(=O)[C@@](c2ccccc2)(C2CCCC2)O1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
APP P05067 1/20 0.35
CTSD P07339 1/20 0.35
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
CHRM2 P08172 11/20 0.35
CHRM4 P08173 11/20 0.35
CHRM5 P08912 11/20 0.35
CHRM1 P11229 11/20 0.35
CHRM3 P20309 11/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL19839514 1.00 L3MBTL1 (0.43) L3MBTL1TDP1MAPK1SMN1; SMN2APP
SCHEMBL19839538 1.00 L3MBTL1 (0.43) L3MBTL1TDP1MAPK1SMN1; SMN2APP
SCHEMBL13715499 1.00 L3MBTL1 (0.43) L3MBTL1TDP1MAPK1SMN1; SMN2APP
SCHEMBL7681801 0.99 L3MBTL1 (0.44) L3MBTL1TDP1APPCTSDBACE1
SCHEMBL7478239 0.89 MEN1 (0.34) L3MBTL1TDP1MAPK1SMN1; SMN2CHRM2
SCHEMBL2797900 0.87 L3MBTL1 (0.36) L3MBTL1TDP1MAPK1SMN1; SMN2CHRM2
SCHEMBL2792896 0.87 L3MBTL1 (0.36) L3MBTL1TDP1MAPK1SMN1; SMN2CHRM2
SCHEMBL2793010 0.87 L3MBTL1 (0.36) L3MBTL1TDP1MAPK1SMN1; SMN2CHRM2
SCHEMBL7471671 0.86 MAPK1 (0.33) L3MBTL1TDP1MAPK1SMN1; SMN2CHRM2
SCHEMBL8308654 0.86 MAPK1 (0.33) L3MBTL1TDP1MAPK1SMN1; SMN2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8628759-B2 Soft anticholinergic esters BODOR LABORATORIES, INC. (US) 2014-01-14 US disclosed
US-8628759-B2 Soft anticholinergic esters BODOR LABORATORIES, INC. (US) 2014-01-14 US disclosed
US-8628759-B2 Soft anticholinergic esters BODOR LABORATORIES, INC. (US) 2014-01-14 US disclosed
US-8568699-B2 Soft anticholinergic zwitterions BODOR LABORATORIES, INC. 2013-10-29 US disclosed
US-8568699-B2 Soft anticholinergic zwitterions BODOR LABORATORIES, INC. 2013-10-29 US disclosed
US-8568699-B2 Soft anticholinergic zwitterions BODOR LABORATORIES, INC. 2013-10-29 US disclosed
US-20120177590-A1 SOFT ANTICHOLINERGIC ESTERS BODOR LABORATORIES, INC. 2012-07-12 US disclosed
US-20120177590-A1 SOFT ANTICHOLINERGIC ESTERS BODOR LABORATORIES, INC. 2012-07-12 US disclosed
US-20120141401-A1 SOFT ANTICHOLINERGIC ZWITTERIONS BODOR LABORATORIES, INC. 2012-06-07 US disclosed
US-20120141401-A1 SOFT ANTICHOLINERGIC ZWITTERIONS BODOR LABORATORIES, INC. 2012-06-07 US disclosed
US-7399861-B2 side effects reduction; treating an obstructive disease of the respiratory tract or for treating overactive bladder; 3-oxa-9-azatricyclo(3.3.1.0(2,4)nonane derivatives BODOR LABORATORIES, INC. 2008-07-15 US disclosed
US-7399861-B2 side effects reduction; treating an obstructive disease of the respiratory tract or for treating overactive bladder; 3-oxa-9-azatricyclo(3.3.1.0(2,4)nonane derivatives BODOR LABORATORIES, INC. 2008-07-15 US disclosed
US-7399861-B2 side effects reduction; treating an obstructive disease of the respiratory tract or for treating overactive bladder; 3-oxa-9-azatricyclo(3.3.1.0(2,4)nonane derivatives BODOR LABORATORIES, INC. 2008-07-15 US disclosed
US-20080027091-A1 e.g. 3-(2-cyclopentyl-2-phenyl-2-hydroxyacetoxy)-1-(carboxymethyl)-1-methylpyrrolidinium inner salt; muscarinic receptor antagonist; chronic obstructive pulmonary disease or asthma; synergistic mixture with antiinflammatory corticosteroid, betamimetic agent or antiallergic agent BODOR LABORATORIES, INC. 2008-01-31 US disclosed
US-20080027091-A1 e.g. 3-(2-cyclopentyl-2-phenyl-2-hydroxyacetoxy)-1-(carboxymethyl)-1-methylpyrrolidinium inner salt; muscarinic receptor antagonist; chronic obstructive pulmonary disease or asthma; synergistic mixture with antiinflammatory corticosteroid, betamimetic agent or antiallergic agent BODOR LABORATORIES, INC. 2008-01-31 US disclosed
US-20080027091-A1 e.g. 3-(2-cyclopentyl-2-phenyl-2-hydroxyacetoxy)-1-(carboxymethyl)-1-methylpyrrolidinium inner salt; muscarinic receptor antagonist; chronic obstructive pulmonary disease or asthma; synergistic mixture with antiinflammatory corticosteroid, betamimetic agent or antiallergic agent BODOR LABORATORIES, INC. 2008-01-31 US disclosed
US-20070123557-A1 side effects reduction; treating an obstructive disease of the respiratory tract or for treating overactive bladder; 3-oxa-9-azatricyclo(3.3.1.0(2,4)nonane derivatives BODOR LABORATORIES, INC. 2007-05-31 US disclosed
US-20070123557-A1 side effects reduction; treating an obstructive disease of the respiratory tract or for treating overactive bladder; 3-oxa-9-azatricyclo(3.3.1.0(2,4)nonane derivatives BODOR LABORATORIES, INC. 2007-05-31 US disclosed
US-20070123557-A1 side effects reduction; treating an obstructive disease of the respiratory tract or for treating overactive bladder; 3-oxa-9-azatricyclo(3.3.1.0(2,4)nonane derivatives BODOR LABORATORIES, INC. 2007-05-31 US disclosed
WO-2007058971-A2 SOFT ANTICHOLINERGIC ESTERS BODOR NICHOLAS S (US) 2007-05-24 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 (4 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-20120177590-A1 SOFT ANTICHOLINERGIC ESTERS CHRM2, CHRM1, CHRM3 L3MBTL1 1106/4885TDP1 3039/4885MAPK1 3903/4885
US-20120141401-A1 SOFT ANTICHOLINERGIC ZWITTERIONS CHRM2, CHRM1, CHRM3 L3MBTL1 1587/4885TDP1 3072/4885MAPK1 4445/4885
US-20080027091-A1 e.g. 3-(2-cyclopentyl-2-phenyl-2-hydroxyacetoxy)-1-(carboxymethyl)-1-methylpyrrolidinium inner salt; muscarinic receptor antagonist; chronic obstructive pulmonary disease or asthma; synergistic mixture with antiinflammatory corticosteroid, betamimetic agent or antiallergic agent CHRM2, ADRB2, ADRB1 L3MBTL1 1837/4885TDP1 3586/4885MAPK1 1730/4885
US-20070123557-A1 side effects reduction; treating an obstructive disease of the respiratory tract or for treating overactive bladder; 3-oxa-9-azatricyclo(3.3.1.0(2,4)nonane derivatives CHRM2, ADRB1, ADRB2 L3MBTL1 910/4885TDP1 3355/4885MAPK1 3385/4885

“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.