Carbamoylcholine

Carbamoylcholine

SCHEMBL3917468

C[N+](C)(C)CCOC(N)=O.[Br-]

nearest known ligand 0.95

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CHRM3

The experimentally established mechanism targets of Carbamoylcholine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 known ✓ P20309 8/20 0.95
CHRM1 P11229 8/20 0.95
CHRM2 P08172 7/20 0.95
CHRM4 P08173 7/20 0.95
CHRM5 P08912 6/20 0.95
CHRNB2 P17787 4/20 0.95
CHRNA4 P43681 4/20 0.95
CHRNA7 P36544 3/20 0.95
HTR1A P08908 2/20 0.95
CYP2C19 P33261 2/20 0.95
LMNA P02545 2/20 0.95
TSHR P16473 1/20 0.95
GALR3 O60755 2/20 0.64
GAA P10253 1/20 0.64
RAB9A P51151 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.60
ADRA2A P08913 1/20 0.60
ADRA1A P35348 1/20 0.60
PGR P06401 1/20 0.60
TBXA2R P21731 1/20 0.60

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
Carbamoylcholine SCHEMBL2792 0.98 CHRM1 (1.00) CHRM1CHRM3CHRM2CHRM4CHRM5
Carbamoylcholine SCHEMBL2406725 0.98 CHRM1 (1.00) CHRM1CHRM3CHRM2CHRM4CHRM5
Carbamoylcholine SCHEMBL2063604 0.95 CHRM1 (0.95) CHRM1CHRM3CHRM2CHRM4CHRM5
Carbamoylcholine SCHEMBL21067459 0.95 CHRM1 (0.95) CHRM1CHRM3CHRM2CHRM4CHRM5
Carbamoylcholine SCHEMBL9792919 0.95 CHRM1 (0.95) CHRM1CHRM3CHRM2CHRM4CHRM5
Carbamoylcholine SCHEMBL27766145 0.95 CHRM1 (0.95) CHRM1CHRM3CHRM2CHRM4CHRM5
Carbamoylcholine SCHEMBL2791 0.95 CHRM5 (1.00) CHRM1CHRM3CHRM2CHRM4CHRM5
Carbamoylcholine SCHEMBL5060882 0.95 CHRM5 (1.00) CHRM1CHRM3CHRM2CHRM4CHRM5
Carbamoylcholine SCHEMBL4727962 0.95 CHRM1 (0.95) CHRM1CHRM3CHRM2CHRM4CHRM5
Carbamoylcholine SCHEMBL16320707 0.95 CHRM1 (0.95) CHRM1CHRM3CHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107683272-B Method for producing organic compound M技术株式会社 2021-10-29 CN 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-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-8071639-B2 Soft anticholinergic zwitterions BODOR LABORATORIES, INC. 2011-12-06 US disclosed
US-20090263341-A1 SOFT ANTICHOLINERGIC ESTERS BODOR LABORATORIES, INC. 2009-10-22 US disclosed
US-20090257969-A1 SOFT ANTICHOLINERGIC ZWITTERIONS BODOR LABORATORIES, INC. 2009-10-15 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-7538219-B2 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. 2009-05-26 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-20080242651-A1 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. 2008-10-02 US disclosed
US-7417147-B2 muscarinic receptor antagonist; chronic obstructive pulmonary disease or asthma; synergistic mixture with antiinflammatory corticosteroid, betamimetic agent or antiallergic agent BODOR LABORATORIES, INC. 2008-08-26 US disclosed
EP-1957451-A1 SOFT ANTICHOLINERGIC ZWITTERIONS Bodor, Nicholas S. (US) 2008-08-20 EP 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-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
WO-2007058971-A2 SOFT ANTICHOLINERGIC ESTERS BODOR NICHOLAS S (US) 2007-05-24 WO disclosed
WO-2007059021-A1 SOFT ANTICHOLINERGIC ZWITTERIONS 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 (8 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 CHRM3 3/4885CHRM1 2/4885CHRM2 1/4885
US-20120177590-A1 SOFT ANTICHOLINERGIC ESTERS CHRM2, CHRM1, CHRM3 CHRM3 3/4885CHRM1 2/4885CHRM2 1/4885
US-20120141401-A1 SOFT ANTICHOLINERGIC ZWITTERIONS CHRM2, CHRM1, CHRM3 CHRM3 3/4885CHRM1 2/4885CHRM2 1/4885
US-20090257969-A1 SOFT ANTICHOLINERGIC ZWITTERIONS CHRM2, CHRM1, CHRM3 CHRM3 3/4885CHRM1 2/4885CHRM2 1/4885
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 CHRM3 5/4885CHRM1 4/4885CHRM2 1/4885
US-20080242651-A1 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, CHRM1, CHRM3 CHRM3 3/4885CHRM1 2/4885CHRM2 1/4885
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 CHRM3 11/4885CHRM1 2/4885CHRM2 7/4885
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 CHRM3 7/4885CHRM1 4/4885CHRM2 1/4885

“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.