Valethamate

Valethamate

SCHEMBL249506

CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1.[Br-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1

The experimentally established mechanism targets of Valethamate. 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
CHRM1 known ✓ P11229 10/20 1.00
CHRM2 known ✓ P08172 9/20 1.00
CHRM3 known ✓ P20309 8/20 1.00
CHRM4 known ✓ P08173 6/20 1.00
CHRM5 known ✓ P08912 1/20 1.00
CYP2D6 P10635 3/20 1.00
SIGMAR1 Q99720 1/20 1.00
SCN1A P35498 2/20 0.47
SCN2A Q99250 2/20 0.47
SCN3A Q9NY46 2/20 0.47
KCNH2 Q12809 3/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 2/20 0.43
KMT2A Q03164 2/20 0.43
SLC6A3 Q01959 2/20 0.42
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KLK7 P49862 1/20 0.38
CHRNB4 P30926 1/20 0.36

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
Valethamate SCHEMBL249537 0.99 CHRM1 (0.97) CHRM1CHRM2CHRM3CHRM4CYP2D6
Valethamate SCHEMBL10011072 0.97 CHRM1 (0.95) CHRM1CHRM2CHRM3CHRM4CYP2D6
SCHEMBL4964029 0.75 KMT2A (0.70) CHRM1CHRM2CHRM3CHRM4CYP2D6
Bromide SCHEMBL9325014 0.74 CHRM1 (0.60) CHRM1CHRM2CHRM3CHRM4CYP2D6
Bromide SCHEMBL9325007 0.73 CHRM1 (0.57) CHRM1CHRM2CHRM3CHRM4CYP2D6
SCHEMBL7878308 0.72 CHRM2 (0.58) CHRM1CHRM2CHRM3CHRM4CYP2D6
SCHEMBL7713699 0.72 CHRM1 (0.56) CHRM1CHRM2CHRM3CHRM4CYP2D6
SCHEMBL13532000 0.72 CHRM1 (0.60) CHRM1CHRM2CHRM3CHRM4CYP2D6
SCHEMBL23872457 0.71 CYP2D6 (0.61) CHRM1CHRM2CHRM3CHRM4CYP2D6
SCHEMBL499471 0.71 CYP2D6 (0.61) CHRM1CHRM2CHRM3CHRM4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4741009-A2 MYOGENIC PROGENITOR CELLS FOR USE IN AN OPTIMIZED METHOD FOR THE PREVENTION AND TREATMENT OF ANAL INCONTINENCE Innovacell GmbH (AT) 2026-05-13 EP claimed
EP-4380583-B1 MYOGENIC PROGENITOR CELLS FOR USE IN AN OPTIMIZED METHOD FOR THE PREVENTION AND TREATMENT OF ANAL INCONTINENCE INNOVACELL GMBH (AT) 2026-04-08 EP claimed
US-20250114405-A1 MYOGENIC PROGENITOR CELLS FOR USE IN AN OPTIMIZED METHOD FOR THE PREVENTION AND TREATMENT OF ANAL INCONTINENCE INNOVACELL GMBH (AT) 2025-04-10 US claimed
CN-111025345-B Pseudo-range precision calibration method and system for GNSS signal acquisition playback equipment 北京无线电计量测试研究所 2021-12-14 CN claimed
US-10910674-B2 Additive for increasing lifespan of rechargeable zinc-anode batteries RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW NEW YORK (US) 2021-02-02 US claimed
CN-111025345-A Pseudo-range precision calibration method and system for GNSS signal acquisition playback equipment 北京无线电计量测试研究所 2020-04-17 CN claimed
US-20180316064-A1 Additive for Increasing Lifespan of Rechargeable Zinc-Anode Batteries RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW NEW YORK (US) 2018-11-01 US claimed
WO-2017147104-A1 MUSCARINIC M2-ANTAGONIST COMBINATIONS CHASE PHARMACEUTICALS CORPORATION (US) 2017-08-31 WO claimed
CN-106977608-A Albumin derivant and variant 阿尔布麦狄克斯公司 2017-07-25 CN claimed
CN-102939304-A Albumin derivatives and variants NOVOZYMES BIOPHARMA UK LTD 2013-02-20 CN claimed
WO-2004032900-A1 AGGREGATE WITH INCREASED DEFORMABILITY, COMPRISING AT LEAST THREE AMPHIPATS, FOR IMPROVED TRANSPORT THROUGH SEMI-PERMEABLE BARRIERS AND FOR THE NON-INVASIVE DRUG APPLICATION IN VIVO, ESPECIALLY THROUGH THE SKIN IDEA AG (DE) 2004-04-22 WO claimed
EP-1273301-A2 Pharmaceutical preparations based on active ingredients susceptible to illicit administration ALTERGON S.A. (CH) 2003-01-08 EP claimed
CN-1294519-A Pharmaceutical composition containing a compound having an activity of promoting the absorption of an active ingredient INPHARMA SA (CH) 2001-05-09 CN claimed
EP-1073470-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING COMPOUNDS WITH ACTIVITY FOR THE ENHANCEMENT OF ABSORPTION OF ACTIVE INGREDIENTS INPHARMA S.A. (CH) 2001-02-07 EP claimed
WO-2000048636-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING COMPOUNDS WITH ACTIVITY FOR THE ENHANCEMENT OF ABSORPTION OF ACTIVE INGREDIENTS INPHARMA S.A. (CH) 2000-08-24 WO claimed
US-5811547-A Method for inducing crystalline state transition in medicinal substance NIPPON SHINYAJU CO., LTD. (JP) 1998-09-22 US claimed
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-0189861-A2 Percutaneous absorption accelerator for ionic water-soluble medicine SHOWA DENKO KABUSHIKI KAISHA (JP) 1986-08-06 EP claimed
CN-85100892-A Paper ion exchange membrane and preparation method thereof and application thereof in electrodialysis water purification treatment 1986-01-10 CN claimed