SCHEMBL2062409

SCHEMBL2062409

O=[C]C(O)(c1ccccc1)C1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.56
NFE2L2 Q16236 1/20 0.56
MAPT P10636 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.45
CHRM3 P20309 11/20 0.44
CHRM2 P08172 10/20 0.44
CHRM1 P11229 2/20 0.43
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
HRH1 P35367 1/20 0.42
GRIN1 Q05586 1/20 0.42
KCNH2 Q12809 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42

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
SCHEMBL2062914 1.00 KEAP1 (0.56) KEAP1NFE2L2MAPTNPSR1SMN1; SMN2
SCHEMBL27821813 0.98 KEAP1 (0.54) KEAP1NFE2L2MAPTNPSR1SMN1; SMN2
SCHEMBL27700604 0.98 KEAP1 (0.54) KEAP1NFE2L2MAPTNPSR1SMN1; SMN2
SCHEMBL4889259 0.81 KEAP1 (0.51) KEAP1NFE2L2MAPTNPSR1SMN1; SMN2
SCHEMBL9193099 0.80 MAPT (0.52) KEAP1NFE2L2MAPTNPSR1SMN1; SMN2
SCHEMBL198459 0.80 MAPT (0.52) KEAP1NFE2L2MAPTNPSR1SMN1; SMN2
SCHEMBL12531908 0.80 MAPT (0.52) KEAP1NFE2L2MAPTNPSR1SMN1; SMN2
SCHEMBL6589615 0.78 KEAP1 (0.47) KEAP1NFE2L2MAPTNPSR1SMN1; SMN2
SCHEMBL609929 0.73 MEN1 (0.43) KEAP1NFE2L2MAPTNPSR1SMN1; SMN2
SCHEMBL4608035 0.72 KEAP1 (0.58) KEAP1NFE2L2MAPTL3MBTL1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101466349-A Piperidinium compounds and cosmetic compositions containing them BEIERSDORF AG (DE) 2009-06-24 CN claimed
EP-3432855-A1 ANTIPERSPIRANT STICK IN THE FORM OF A O/W EMULSION Beiersdorf AG (DE) 2019-01-30 EP disclosed
CN-102947309-B 7-aza-bicyclo [2.2.1] heptane derivatives, process for their preparation, and their pharmaceutical use THERON PHARMACEUTICALS, INC. (US) 2016-02-10 CN disclosed
US-9216971-B2 Quaternary ammonium compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-12-22 US disclosed
CN-104744480-A 7-azoniabicyclo [2.2.1] heptane derivatives, methods of production, and pharmaceutical uses thereof THERON PHARMACEUTICALS INC 2015-07-01 CN disclosed
CN-104288143-A Glycopyrrolate and neosigmine methylsuIfate combined injection and preparation method thereof ANHUI YI XIN MING PHARMACEUTICAL CO LTD 2015-01-21 CN disclosed
US-20140329857-A1 QUATERNARY AMMONIUM COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-11-06 US disclosed
US-8628759-B2 Soft anticholinergic esters BODOR LABORATORIES, INC. (US) 2014-01-14 US disclosed
US-8492407-B2 Quaternary ammonium compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2013-07-23 US disclosed
CN-102947309-A 7-aza-bicyclo [2.2.1] heptane derivatives, process for their preparation, and their pharmaceutical use THERON PHARMACEUTICALS INC 2013-02-27 CN disclosed
US-8202891-B2 Quaternary ammonium compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2012-06-19 US disclosed
US-8147809-B2 Soft anticholinergic esters BODOR LABORATORIES, INC. 2012-04-03 US disclosed
US-20090263341-A1 SOFT ANTICHOLINERGIC ESTERS BODOR LABORATORIES, INC. 2009-10-22 US disclosed
US-7576210-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; 6 beta ,7 beta -epoxy-3 beta -hydroxy-8-ethoxycarbonylmethyl-8-methyl-1 alpha H,5 alpha H-tropanium bromide, di-2-thienylglycolate BODOR LABORATORIES, INC. 2009-08-18 US disclosed
US-20090075954-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; 6 beta ,7 beta -epoxy-3 beta -hydroxy-8-ethoxycarbonylmethyl-8-methyl-1 alpha H,5 alpha H-tropanium bromide, di-2-thienylglycolate BODOR LABORATORIES, INC. 2009-03-19 US disclosed
US-20080269190-A1 Chronic obstructive pulmonary disease; asthma THERAVANCE, INC. 2008-10-30 US disclosed
EP-1948596-A2 SOFT ANTICHOLINERGIC ESTERS Bodor, Nicholas S. (US) 2008-07-30 EP 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-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 (5 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-20090263341-A1 SOFT ANTICHOLINERGIC ESTERS CHRM2, CHRM1, CHRM3 KEAP1 2565/4885NFE2L2 3626/4885MAPT 2149/4885
US-20080269190-A1 Chronic obstructive pulmonary disease; asthma CHRM2, CHRM5, CHRM3 KEAP1 2365/4885NFE2L2 4302/4885MAPT 3972/4885
US-20090075954-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; 6 beta ,7 beta -epoxy-3 beta -hydroxy-8-ethoxycarbonylmethyl-8-methyl-1 alpha H,5 alpha H-tropanium bromide, di-2-thienylglycolate CHRNE, CHRM1, ADRB1 KEAP1 2309/4885NFE2L2 2306/4885MAPT 3768/4885
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 KEAP1 1890/4885NFE2L2 2183/4885MAPT 3923/4885
US-20140329857-A1 QUATERNARY AMMONIUM COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM5, CHRM1 KEAP1 2835/4885NFE2L2 4682/4885MAPT 3689/4885

“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.