SCHEMBL4373386

SCHEMBL4373386

COc1ccccc1CNCCCCCCN

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 15/20 0.97
BCHE P06276 5/20 0.82
ACHE P22303 5/20 0.82
CHRM4 P08173 5/20 0.82
CHRM5 P08912 5/20 0.82
CHRM1 P11229 5/20 0.82
CHRM3 P20309 5/20 0.82
GRIN1 Q05586 4/20 0.82
GRIN2A Q12879 4/20 0.82
RECQL P46063 2/20 0.82
TP53 P04637 1/20 0.82
CYP3A4 P08684 1/20 0.82
CYP2D6 P10635 1/20 0.82
TSHR P16473 1/20 0.82
THPO P40225 1/20 0.82
MEN1 O00255 1/20 0.79
POLB P06746 1/20 0.79
MAPT P10636 1/20 0.79
BLM P54132 1/20 0.79
PMP22 Q01453 1/20 0.79

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
SCHEMBL10873043 0.94 CHRM2 (0.85) CHRM2BCHEACHECHRM4CHRM5
SCHEMBL18398815 0.91 CHRM2 (0.80) CHRM2BCHEACHECHRM4CHRM5
SCHEMBL20584486 0.91 CHRM2 (0.80) CHRM2BCHEACHECHRM4CHRM5
Methoctramine SCHEMBL29456771 0.90 CHRM2 (1.00) CHRM2BCHEACHECHRM4CHRM5
SCHEMBL4909317 0.90 CHRM2 (0.79) CHRM2BCHEACHECHRM4CHRM5
Methoctramine SCHEMBL11982296 0.90 CHRM2 (1.00) CHRM2BCHEACHECHRM4CHRM5
Methoctramine SCHEMBL31061008 0.89 CHRM2 (1.00) CHRM2BCHEACHECHRM4CHRM5
SCHEMBL4918881 0.87 CHRM2 (0.80) CHRM2BCHEACHECHRM4CHRM5
SCHEMBL4918374 0.87 CHRM2 (0.80) CHRM2BCHEACHECHRM4CHRM5
SCHEMBL4918894 0.87 CHRM2 (0.80) CHRM2BCHEACHECHRM4CHRM5

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-3324966-A1 MUSCARINIC COMBINATION OF A SELECTIVE M2-ANTAGONIST AND A PERIPHERAL NON-SELECTIVE ANTAGONIST FOR TREATING HYPOCHOLINERGIC DISORDERS Chase Pharmaceuticals Corporation (US) 2018-05-30 EP disclosed
WO-2017015349-A1 MUSCARINIC COMBINATION OF A SELECTIVE M2-ANTAGONIST AND A PERIPHERAL NON-SELECTIVE ANTAGONIST FOR TREATING HYPOCHOLINERGIC DISORDERS CHASE PHARMACEUTICALS CORPORATION (US) 2017-01-26 WO disclosed
US-7589219-B2 2,5-bis-diamine-[1,4]benzoquinonic derivatives, useful for the treatment of alzheimer's disease, method for preparing them and intermediates of said method ALMA MATER STUDIORUM-UNIVERSITA' DI BOLOGNA (IT) 2009-09-15 US disclosed
US-7589219-B2 2,5-bis-diamine-[1,4]benzoquinonic derivatives, useful for the treatment of alzheimer's disease, method for preparing them and intermediates of said method ALMA MATER STUDIORUM-UNIVERSITA' DI BOLOGNA (IT) 2009-09-15 US disclosed
US-7589219-B2 2,5-bis-diamine-[1,4]benzoquinonic derivatives, useful for the treatment of alzheimer's disease, method for preparing them and intermediates of said method ALMA MATER STUDIORUM-UNIVERSITA' DI BOLOGNA (IT) 2009-09-15 US disclosed
US-20050261345-A1 2,5-Bis-diamine-'1,4! benzoquinone derivatives, for the treatment of alzheimer's disease a process for their preparation and intermediates therefor ALMA MATER STUDIORUM-UNIVERSITA' DI BOLOGNA (IT) 2005-11-24 US disclosed
EP-1497257-A1 2,5-BIS-DIAMINE-[1,4] BENZOQUINONE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE, A PROCESS FOR THEIR PREPARATION AND INTERMEDIATES THEREFOR Alma Mater Studiorum -Universita' di Bologna (IT) 2005-01-19 EP disclosed
WO-2003087035-A1 2,5-BIS-DIAMINE-'1,4! BENZOQUINONE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE A PROCESS FOR THEIR PREPARATION AND INTERMEDIATES THEREFOR ALMA MATER STUDIORUM-UNIVERSITA' DI BOLOGNA (IT) 2003-10-23 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 (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-20050261345-A1 2,5-Bis-diamine-'1,4! benzoquinone derivatives, for the treatment of alzheimer's disease a process for their preparation and intermediates therefor PSEN2, BACE2, WEE2 CHRM2 1909/4885BCHE 77/4885ACHE 169/4885

“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.