Cetylpyridinium

Cetylpyridinium

SCHEMBL3217090

CCCCCCCCCCCCCCCC[n+]1ccccc1.O=C([O-])C(F)(F)F

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.65
CHRM2 P08172 2/20 0.65
ADRA2A P08913 2/20 0.65
ADORA3 P0DMS8 2/20 0.65
CHRM1 P11229 2/20 0.65
SLC6A2 P23975 2/20 0.65
SLC6A4 P31645 2/20 0.65
SLC6A3 Q01959 2/20 0.65
ABCB11 O95342 1/20 0.65
ESR1 P03372 1/20 0.65
PGR P06401 1/20 0.65
HTR1A P08908 1/20 0.65
DRD1 P21728 1/20 0.65
TBXA2R P21731 1/20 0.65
PTGS1 P23219 1/20 0.65
PDE4A P27815 1/20 0.65
ADRA1A P35348 1/20 0.65
OPRM1 P35372 1/20 0.65
DRD3 P35462 1/20 0.65
KCNH2 Q12809 1/20 0.65

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
Trifluoroacetic Acid SCHEMBL16700146 0.98 ACHE (0.61) ACHECHRM2ADRA2AADORA3CHRM1
Trifluoroacetic Acid SCHEMBL3103642 0.93 ACHE (0.53) ACHECHRM2ADRA2AADORA3CHRM1
Cetylpyridinium SCHEMBL9738456 0.88 ACHE (0.77) ACHECHRM2ADRA2AADORA3CHRM1
Cetylpyridinium SCHEMBL9738452 0.88 ACHE (0.77) ACHECHRM2ADRA2AADORA3CHRM1
Trichloroacetic Acid SCHEMBL9784545 0.87 ACHE (0.65) ACHECHRM2ADRA2AADORA3CHRM1
Acetic Acid SCHEMBL30330818 0.86 ACHE (0.74) ACHECHRM2ADRA2AADORA3CHRM1
Acetic Acid SCHEMBL29252048 0.86 ACHE (0.74) ACHECHRM2ADRA2AADORA3CHRM1
Acetic Acid SCHEMBL30213001 0.86 ACHE (0.74) ACHECHRM2ADRA2AADORA3CHRM1
Acetic Acid SCHEMBL9358811 0.86 ACHE (0.74) ACHECHRM2ADRA2AADORA3CHRM1
Trifluoroacetic Acid SCHEMBL16699833 0.86 CHRM2 (0.42) ACHECHRM2ADRA2AADORA3CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2117524-B1 USE OF CATECHOLAMINES AND RELATED COMPOUNDS AS ANTI-ANGIOGENIC AGENTS NAT RES COUNCIL CANADA (CA) 2019-08-14 EP disclosed
US-20170027889-A1 USE OF CATECHOLAMINES AND RELATED COMPOUNDS AS ANTI-ANGIOGENIC AGENTS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2017-02-02 US disclosed
US-20170027888-A1 USE OF CATECHOLAMINES AND RELATED COMPOUNDS AS ANTI-ANGIOGENIC AGENTS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2017-02-02 US disclosed
US-9351947-B2 Use of catecholamines and related compounds as anti-angiogenic agents NATIONAL RESEARCH COUNCIL OF CANADA 2016-05-31 US disclosed
US-20100069401-A1 USE OF CATECHOLAMINES AND RELATED COMPOUNDS AS ANTI-ANGIOGENIC AGENTS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2010-03-18 US disclosed
EP-2117524-A1 USE OF CATECHOLAMINES AND RELATED COMPOUNDS AS ANTI-ANGIOGENIC AGENTS National Research Council of Canada (CA) 2009-11-18 EP disclosed
WO-2008092257-A1 USE OF CATECHOLAMINES AND RELATED COMPOUNDS AS ANTI-ANGIOGENIC AGENTS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2008-08-07 WO disclosed
WO-2005082860-A1 TETRACYCLINES AND THEIR USE AS CALPAIN INHIBITORS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2005-09-09 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 (3 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-20170027888-A1 USE OF CATECHOLAMINES AND RELATED COMPOUNDS AS ANTI-ANGIOGENIC AGENTS ADRB3, ADRB1, ADRA1D ACHE 515/4885CHRM2 75/4885ADRA2A 10/4885
US-20170027889-A1 USE OF CATECHOLAMINES AND RELATED COMPOUNDS AS ANTI-ANGIOGENIC AGENTS SLC6A2, VEGFA, COMT ACHE 990/4885CHRM2 982/4885ADRA2A 28/4885
US-20100069401-A1 USE OF CATECHOLAMINES AND RELATED COMPOUNDS AS ANTI-ANGIOGENIC AGENTS ADRB2, ADRB1, SLC6A2 ACHE 1106/4885CHRM2 228/4885ADRA2A 8/4885

“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.