Hexopyrronium

Hexopyrronium

SCHEMBL915388

C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)C2CCCCC2)C1.[Br-]

nearest known ligand 0.98

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1

The experimentally established mechanism targets of Hexopyrronium. 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
CHRM3 known ✓ P20309 15/20 0.98
CHRM2 known ✓ P08172 8/20 0.98
CHRM4 known ✓ P08173 1/20 0.98
CHRM5 known ✓ P08912 1/20 0.98
CHRM1 known ✓ P11229 1/20 0.98
KCNH2 Q12809 2/20 0.98
HRH1 P35367 1/20 0.98
HTR2B P41595 1/20 0.98
SLC22A1 O15245 1/20 0.63
LMNA P02545 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C19 P33261 1/20 0.61
SLC6A4 P31645 1/20 0.61
ALDH1A1 P00352 1/20 0.60
CYP1A2 P05177 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
Hexopyrronium SCHEMBL5388203 1.00 CHRM3 (0.98) CHRM3CHRM2KCNH2CHRM4CHRM5
Hexopyrronium SCHEMBL5388206 1.00 CHRM3 (0.98) CHRM3CHRM2KCNH2CHRM4CHRM5
Hexopyrronium SCHEMBL6984703 1.00 CHRM3 (0.98) CHRM3CHRM2KCNH2CHRM4CHRM5
Hexopyrronium SCHEMBL5391792 1.00 CHRM3 (0.98) CHRM3CHRM2KCNH2CHRM4CHRM5
Hexopyrronium SCHEMBL5388581 1.00 CHRM3 (0.98) CHRM3CHRM2KCNH2CHRM4CHRM5
Hexopyrronium SCHEMBL5391795 1.00 CHRM3 (0.98) CHRM3CHRM2KCNH2CHRM4CHRM5
Hexopyrronium SCHEMBL5388575 1.00 CHRM3 (0.98) CHRM3CHRM2KCNH2CHRM4CHRM5
Hexopyrronium SCHEMBL8445043 0.99 CHRM3 (0.98) CHRM3CHRM2KCNH2CHRM4CHRM5
Glycopyrronium SCHEMBL131054 0.99 CHRM3 (1.00) CHRM3CHRM2KCNH2CHRM4CHRM5
Glycopyrronium SCHEMBL132614 0.99 CHRM3 (1.00) CHRM3CHRM2KCNH2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5008111-A Pretreating skin with anticholinergic quaternary ammonium salt to suppress perspiration SCHERING CORPORATION (US) 1991-04-16 US claimed
US-4824676-A ANTICHOLINERGIC AGENT TO SUPPRESS PERSPIRATION SCHERING CORPORATION (US) 1989-04-25 US claimed
EP-4088717-A1 USE AND COMPOSITION FOR TREATING DEMENTIA Chase Pharmaceuticals Corporation (US) 2022-11-16 EP disclosed
EP-4035668-A1 ANTICHOLINERGIC NEUROPROTECTIVE COMPOSITION AND METHODS Chase Pharmaceuticals Corporation (US) 2022-08-03 EP disclosed
US-20210128528-A1 USE OF 5HT2A INVERSE AGONISTS FOR TREATING PSYCHOSIS AXOVANT SCIENCES GMBH (CH) 2021-05-06 US disclosed
US-20190314354-A1 MUSCARINIC COMBINATIONS AND THEIR USE FOR COMBATING HYPOCHOLINERGIC DISORDERS OF THE CENTRAL NERVOUS SYSTEM CHASE PHARMACEUTICALS CORPORATION (US) 2019-10-17 US disclosed
US-10307409-B2 Muscarinic combinations and their use for combating hypocholinergic disorders of the central nervous system CHASE PHARMACEUTICALS CORPORATION (US) 2019-06-04 US disclosed
US-20190091214-A1 USE AND COMPOSITION FOR TREATING DEMENTIA CHASE PHARMACEUTICALS CORP (US) 2019-03-28 US disclosed
US-20190046506-A1 USE OF 5HT2A INVERSE AGONISTS FOR TREATING PSYCHOSIS AXOVANT SCIENCES GMBH (CH) 2019-02-14 US disclosed
WO-2019033068-A1 USE OF 5HT2A INVERSE AGONISTS FOR TREATING PSYCHOSIS AXOVANT SCIENCES GMBH (CH) 2019-02-14 WO disclosed
US-20190000826-A1 ANTICHOLINERGIC NEUROPROTECTIVE COMPOSITION AND METHODS CHASE PHARMACEUTICALS CORPORATION (US) 2019-01-03 US disclosed
EP-0937041-B1 Use of a pharmaceutically acceptable salt of (3R,2'R)-3-[(Cyclopently-hydroxyphenylacetyl)oxy]-1,1-dimethyl-pyrrolidinium for the preparation of a medicament NOE CHRISTIAN R (DE) 2003-04-23 EP disclosed
US-20020102215-A1 Diagnostic/therapeutic agents NYCOMED IMAGING AS 2002-08-01 US disclosed
US-20020102217-A1 Diagnostic/therapeutic agents NYCOMED IMAGING AS 2002-08-01 US disclosed
US-6331289-B1 ULTRASOUND CONTRAST AGENTS, SUSPENSION IN AQUEOUS CARRIER LIQUID OF A REPORTER COMPRISING GAS-CONTAINING OR GAS-GENERATING MATERIAL, AGENT CAPABLE OF FORMING AT LEAST TWO TYPES OF BINDING PAIRS WITH TARGET; REPORTER BEING CONJUGATED NYCOMED IMAGING AS (NO) 2001-12-18 US disclosed
US-6264917-B1 MIXTURE OF GAS FILLED MICROBUBBLES AND RELEASING AGENT NYCOMED IMAGING AS (NO) 2001-07-24 US disclosed
US-6261537-B1 TARGETS AND ULTRASOUND DIAGNOSIS OF ACTIVE MATERIALS, AQUEOUS CARRIER LIQUIDS, CARRIERS AND FILM FORMING SURFACTANT PHOSPHATIDES NYCOMED IMAGING AS (NO) 2001-07-17 US disclosed
WO-2001008681-A1 METHODS OF ADMINISTRATION OF GLYCOPYRROLATE COMPOSITIONS FIRST HORIZON PHARMACEUTICAL CORPORATION (US) 2001-02-08 WO disclosed
EP-0937041-A1 PURE ENANTIOMER BASIC ARYL-CYCLOALKYL-HYDROXYCARBOXYLIC ACID ESTERS, PROCESS FOR PREPARING THE SAME AND THEIR USE IN MEDICAMENTS Noe, Christian R. (DE) 1999-08-25 EP disclosed
WO-1998021183-A1 PURE ENANTIOMER BASIC ARYL-CYCLOALKYL-HYDROXYCARBOXYLIC ACID ESTERS, PROCESS FOR PREPARING THE SAME AND THEIR USE IN MEDICAMENTS NOE CHRISTIAN R (AT) 1998-05-22 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 (7 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-20190314354-A1 MUSCARINIC COMBINATIONS AND THEIR USE FOR COMBATING HYPOCHOLINERGIC DISORDERS OF THE CENTRAL NERVOUS SYSTEM CHRM3, CHRM2, CHRM4 CHRM3 1/4885CHRM2 2/4885CHRM4 3/4885
US-10307409-B2 Muscarinic combinations and their use for combating hypocholinergic disorders of the central nervous system CHRM3, CHRM2, CHRM4 CHRM3 1/4885CHRM2 2/4885CHRM4 3/4885
US-20190000826-A1 ANTICHOLINERGIC NEUROPROTECTIVE COMPOSITION AND METHODS ACHE, CHRNA5, SNCA CHRM3 32/4885CHRM2 46/4885CHRM4 141/4885
US-20190091214-A1 USE AND COMPOSITION FOR TREATING DEMENTIA ACHE, BCHE, CHAT CHRM3 18/4885CHRM2 11/4885CHRM4 72/4885
US-20210128528-A1 USE OF 5HT2A INVERSE AGONISTS FOR TREATING PSYCHOSIS HTR2A, HTR1A, HTR3B CHRM3 299/4885CHRM2 251/4885CHRM4 302/4885
US-20190046506-A1 USE OF 5HT2A INVERSE AGONISTS FOR TREATING PSYCHOSIS HTR2A, HTR1A, HTR3B CHRM3 299/4885CHRM2 251/4885CHRM4 302/4885
US-20020102215-A1 Diagnostic/therapeutic agents BID, FUS, FABP1 CHRM3 4193/4885CHRM2 4525/4885CHRM4 4280/4885

“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.