Cetylpyridinium

Cetylpyridinium

SCHEMBL1922334

CCCCCCCCCCCCCCCC[n+]1ccccc1.O.[Br-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO

The experimentally established mechanism targets of Cetylpyridinium. 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
ACHE known ✓ P22303 6/20 0.95
CHRM2 known ✓ P08172 2/20 0.95
ADRA2A known ✓ P08913 2/20 0.95
ADORA3 known ✓ P0DMS8 2/20 0.95
CHRM1 known ✓ P11229 2/20 0.95
SLC6A2 known ✓ P23975 2/20 0.95
SLC6A4 known ✓ P31645 2/20 0.95
SLC6A3 known ✓ Q01959 2/20 0.95
EGFR known ✓ P00533 1/20 0.95
ERBB2 known ✓ P04626 1/20 0.95
CHRM4 known ✓ P08173 1/20 0.95
CHRM5 known ✓ P08912 1/20 0.95
ADRA2B known ✓ P18089 1/20 0.95
ADRA2C known ✓ P18825 1/20 0.95
CHRM3 known ✓ P20309 1/20 0.95
HTR2A known ✓ P28223 1/20 0.95
HTR2C known ✓ P28335 1/20 0.95
HTR2B known ✓ P41595 1/20 0.95
ESR1 known ✓ P03372 1/20 0.91
HTR1A known ✓ P08908 1/20 0.91

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
Bromide SCHEMBL8770083 0.98 ACHE (1.00) RAD52HSP90AA1ACHECHRM2ADRA2A
Bromide SCHEMBL1331692 0.98 ACHE (1.00) RAD52HSP90AA1ACHECHRM2ADRA2A
Bromide SCHEMBL1331186 0.98 ACHE (1.00) RAD52HSP90AA1ACHECHRM2ADRA2A
Bromide SCHEMBL5085309 0.98 ACHE (1.00) RAD52HSP90AA1ACHECHRM2ADRA2A
Bromide SCHEMBL1547466 0.98 ACHE (1.00) RAD52HSP90AA1ACHECHRM2ADRA2A
Bromide SCHEMBL4540499 0.98 ACHE (1.00) RAD52HSP90AA1ACHECHRM2ADRA2A
Bromide SCHEMBL8650670 0.98 ACHE (1.00) RAD52HSP90AA1ACHECHRM2ADRA2A
Bromide SCHEMBL557155 0.98 ACHE (1.00) RAD52HSP90AA1ACHECHRM2ADRA2A
Cetylpyridinium SCHEMBL151799 0.98 ACHE (1.00) RAD52HSP90AA1ACHECHRM2ADRA2A
Bromide SCHEMBL5286954 0.98 ACHE (1.00) RAD52HSP90AA1ACHECHRM2ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-121573914-A Preparation method and application of bioactive glass ceramic nano enzyme 西安交通大学 2026-02-27 CN claimed
US-20040127461-A1 Water soluble, randomly substituted partial N-, partial O-acetylated chitosan, preserving compositions containing chitosan, and processes for making thereof ADJUVANT PHARMACEUTICALS, LLC (US) 2004-07-01 US claimed
EP-1425310-A2 WATER SOLUBLE, RANDOMLY SUBSTITUTED PARTIAL N-, PARTIAL O-ACETYLATED CHITOSAN, PRESERVING COMPOSITIONS CONTAINING CHITOSAN, AND PROCESSES FOR MAKING THEREOF Technology Resource International Corporation (US) 2004-06-09 EP claimed
US-6716970-B2 CONTACT LENS PRESERVATIVE SOLUTION ADJUVANT PHARMACEUTICALS, LLC 2004-04-06 US claimed
US-6495243-B1 Recording substrates for ink jet printing XEROX CORPORATION 2002-12-17 US claimed
US-20020177577-A1 Water soluble, randomly substituted partial N-partial O-acetylated chitosan, preserving compositions containing chitosan, and processes for making thereof ADJUVANT PHARMACEUTICALS, LLC 2002-11-28 US claimed
WO-2002085951-A2 WATER SOLUBLE, RANDOMLY SUBSTITUTED PARTIAL N-, PARTIAL O-ACETYLATED CHITOSAN, PRESERVING COMPOSITIONS CONTAINING CHITOSAN, AND PROCESSES FOR MAKING THEREOF TECHNOLOGY RESOURCE INTERNATIONAL CORPORATION (US) 2002-10-31 WO claimed
US-20020018732-A1 Preserving compositions containing chitosan and processes for making water soluble O-acetylated chitosan and chitosan TECHNOLOGY RESOURCE INTERNATIONAL CORPORATION 2002-02-14 US claimed
EP-0743574-B1 Migration imaging members XEROX CORP (US) 2000-12-27 EP claimed
EP-0743573-B1 Method for obtaining image contrast migration imaging members XEROX CORP (US) 2000-09-06 EP claimed
US-5563014-A SOFTENABLE LAYER CONTAINIG PHOTOSENSITIVE MARKING MATERIAL; TRANSPARENTIZING AGENT XEROX CORPORATION (US) 1996-10-08 US claimed
US-5514505-A SELECTIVE TRANSPARENTIZATION OF PHOTOSENSITIVE MIGRATION MARKING PARTICLES EMBEDDED NEAR THE SURFACE OF A SOFTENABLE LAYER SUPPORTED BY AN ELECTROCONDUCTIVE SUBSTRATE XEROX CORPORATION (US) 1996-05-07 US claimed
US-5441795-A Piperazinium compounds XEROX CORPORATION (US) 1995-08-15 US claimed
EP-0615858-A1 Transparent recording sheets XEROX CORPORATION (US) 1994-09-21 EP claimed
EP-0615855-A1 Recording sheets containing pyridinium and/or piperazinum compounds XEROX CORPORATION (US) 1994-09-21 EP claimed
US-5330823-A Transparent recording sheets XEROX CORPORATION (US) 1994-07-19 US claimed
EP-0346655-B1 AN IMPROVED METHOD FOR PREPARING POLYMER SURFACES FOR SUBSEQUENT PLATING THEREON, AND IMPROVED METAL-PLATED PLASTIC ARTICLES MADE THEREFROM GENERAL ELECTRIC COMPANY (US) 1993-08-18 EP claimed
US-4917452-A Liquid crystal optical switching device UCE, INC. (US) 1990-04-17 US claimed
EP-0346655-A1 An improved method for preparing polymer surfaces for subsequent plating thereon, and improved metal-plated plastic articles made therefrom GENERAL ELECTRIC COMPANY (US) 1989-12-20 EP claimed
US-4873136-A MILD ETCHING; REMOVAL OF RESIDUAL FILM WITH CATIONIC SURFACTANT GENERAL ELECTRIC COMPANY (US) 1989-10-10 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20020177577-A1 Water soluble, randomly substituted partial N-partial O-acetylated chitosan, preserving compositions containing chitosan, and processes for making thereof PIGS, CSGALNACT1, OGA ACHE 886/4885CHRM2 802/4885ADRA2A 4643/4885

“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.