Dimethylcarbate

Dimethylcarbate

SCHEMBL131467

CN(C)C(=O)[O-].COS(=O)(=O)[O-].C[N+](C)(C)c1cccc(O)c1.C[N+](C)(C)c1cccc(O)c1

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

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

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 12/20 0.63
BCHE P06276 4/20 0.63
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TSHR P16473 2/20 0.39
OPRM1 P35372 1/20 0.39
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B1 P14061 3/20 0.34
HSD17B2 P37059 3/20 0.34
KIF11 P52732 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALDH1A1 P00352 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
Dimethylcarbate SCHEMBL4413044 0.87 ACHE (0.67) ACHEBCHELMNAMEN1KMT2A
Dimethylcarbate SCHEMBL7633232 0.77 ACHE (0.62) ACHEBCHELMNAMEN1KMT2A
Neostigmine SCHEMBL41903 0.77 ACHE (1.00) ACHEBCHELMNAMEN1KMT2A
Dimethylcarbate SCHEMBL4413046 0.76 ACHE (0.69) ACHEBCHELMNAMEN1KMT2A
SCHEMBL1920707 0.73 ACHE (1.00) ACHEBCHELMNATSHROPRM1
Hydrochloric Acid SCHEMBL28469713 0.72 ACHE (0.95) ACHEBCHELMNATSHROPRM1
Water SCHEMBL11727004 0.72 ACHE (0.95) ACHEBCHELMNATSHROPRM1
Hydrochloric Acid SCHEMBL30945416 0.72 ACHE (0.95) ACHEBCHELMNATSHROPRM1
Iodide SCHEMBL29488102 0.72 ACHE (0.95) ACHEBCHELMNATSHROPRM1
SCHEMBL29388689 0.71 ACHE (0.78) ACHEBCHELMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4230202-A1 BOWEL CARE USING IONTOPHORESIS The United States Government Represented by the Department of Veterans Affairs (US) 2023-08-23 EP disclosed
EP-3413888-B1 BOWEL CARE USING IONTOPHORESIS US GOV VETERANS AFFAIRS (US) 2023-05-10 EP disclosed
US-20190029989-A1 BOWEL CARE USING IONTOPHORESIS UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2019-01-31 US disclosed
EP-3413888-A2 BOWEL CARE USING IONTOPHORESIS United States Government as Represented by The Department of Veterans Affairs (US) 2018-12-19 EP disclosed
WO-2017139794-A2 BOWEL CARE USING IONTOPHORESIS UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS (US) 2017-08-17 WO disclosed
US-20160106694-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING DROXIDOPA LUNDBECK NA LTD. 2016-04-21 US disclosed
EP-2363124-B1 Pharmaceutical compositions comprising droxidopa LUNDBECK NA LTD (US) 2016-02-17 EP disclosed
EP-2809315-A1 IMPROVING POSTURAL STABILITY ADMINISTERING DROXIDOPA Lundbeck Na Ltd (US) 2014-12-10 EP disclosed
EP-2134335-B1 DROXIDOPA AND PHARMACEUTICAL COMPOSITION THEREOF FOR THE TREATMENT OF FIBROMYALGIA CHELSEA THERAPEUTICS INC (US) 2014-04-23 EP disclosed
WO-2013116325-A1 IMPROVING POSTURAL STABILITY ADMINISTERING DROXIDOPA CHELSEA THERAPEUTICS, INC. (US) 2013-08-08 WO disclosed
US-20090023705-A1 DROXIDOPA AND PHARMACEUTICAL COMPOSITION THEREOF FOR THE TREATMENT OF MOOD DISORDERS, SLEEP DISORDERS OR ATTENTION DEFICIT DISORDERS CHELSEA THERAPEUTICS, INC. 2009-01-22 US disclosed
WO-2008137923-A2 DROXIDOPA AND PHARMACEUTICAL COMPOSITION THEREOF FOR THE TREATMENT OF MOOD DISORDERS, SLEEP DISORDERS, OR ATTENTION DEFICIT DISORDERS CHELSEA THERAPEUTICS, INC. (US) 2008-11-13 WO disclosed
WO-2008112773-A2 DROXIDOPA AND PHARMACEUTICAL COMPOSITION THEREOF FOR THE TREATMENT OF NEURALLY MEDIATED HYPOTENSION CHELSEA THERAPEUTICS, INC. (US) 2008-09-18 WO disclosed
WO-2008112562-A1 DROXIDOPA AND PHARMACEUTICAL COMPOSITION THEREOF FOR THE TREATMENT OF FIBROMYALGIA CHELSEA THERAPEUTICS, INC. (US) 2008-09-18 WO disclosed
US-20080227830-A1 DROXIDOPA AND PHARMACEUTICAL COMPOSITION THEREOF FOR THE TREATMENT OF NEURALLY MEDIATED HYPOTENSION CHELSEA THERAPEUTICS, INC. 2008-09-18 US disclosed
US-20080221170-A1 DROXIDOPA AND PHARMACEUTICAL COMPOSITION THEREOF FOR THE TREATMENT OF FIBROMYALGIA CHELSEA THERAPEUTICS, INC. 2008-09-11 US disclosed
EP-1948155-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING DROXIDOPA Chelsea Therapeutics Inc. (US) 2008-07-30 EP disclosed
US-20080015181-A1 Pharmaceutical Compositions Comprising Droxidopa CHELSEA THERAPEUTICS, INC. 2008-01-17 US disclosed
WO-2008003028-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING DROXIDOPA CHELSEA THERAPEUTICS, INC. (US) 2008-01-03 WO disclosed
US-20040082644-A1 Compositions and methods for bowel care in individuals with chronic intestinal pseudo-obstruction THE GOVERNMENT OF THE UNITED STATES OF AMERICA, DBA, THE DEPARTMENT OF VETERANS AFFAIRS 2004-04-29 US 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-20080015181-A1 Pharmaceutical Compositions Comprising Droxidopa COMT, ACHE, MAOA ACHE 2/4885BCHE 86/4885LMNA 4315/4885
US-20080227830-A1 DROXIDOPA AND PHARMACEUTICAL COMPOSITION THEREOF FOR THE TREATMENT OF NEURALLY MEDIATED HYPOTENSION ADRA1D, QDPR, ADRA2C ACHE 20/4885BCHE 409/4885LMNA 3641/4885
US-20090023705-A1 DROXIDOPA AND PHARMACEUTICAL COMPOSITION THEREOF FOR THE TREATMENT OF MOOD DISORDERS, SLEEP DISORDERS OR ATTENTION DEFICIT DISORDERS COMT, DRD2, PNMT ACHE 46/4885BCHE 64/4885LMNA 4023/4885
US-20160106694-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING DROXIDOPA COMT, ACHE, MAOA ACHE 2/4885BCHE 86/4885LMNA 4315/4885
US-20080221170-A1 DROXIDOPA AND PHARMACEUTICAL COMPOSITION THEREOF FOR THE TREATMENT OF FIBROMYALGIA HTR5A, FAAH, MTNR1B ACHE 92/4885BCHE 2203/4885LMNA 3099/4885

“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.