SCHEMBL12418306

SCHEMBL12418306

COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccc(Cl)cc3)CC1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 1.00
BCHE P06276 10/20 1.00
FAAH O00519 1/20 0.83
ABCC4 O15439 1/20 0.83
CACNA1F O60840 1/20 0.83
PDE5A O76074 1/20 0.83
ABCB11 O95342 1/20 0.83
APP P05067 1/20 0.83
CHRM2 P08172 1/20 0.83
ABCB1 P08183 1/20 0.83
CYP3A4 P08684 1/20 0.83
CHRM5 P08912 1/20 0.83
ADRA2A P08913 1/20 0.83
CHRM1 P11229 1/20 0.83
ADRA2C P18825 1/20 0.83
DRD4 P21917 1/20 0.83
SLC6A2 P23975 1/20 0.83
MAOB P27338 1/20 0.83
AGTR1 P30556 1/20 0.83
ADRA1A P35348 1/20 0.83

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
SCHEMBL13854659 0.93 ACHE (0.87) ACHEBCHEFAAHABCC4CACNA1F
SCHEMBL2615347 0.92 ACHE (1.00) ACHEBCHEFAAHABCC4CACNA1F
SCHEMBL13284566 0.91 ACHE (1.00) ACHEBCHEFAAHABCC4CACNA1F
SCHEMBL12375152 0.91 ACHE (1.00) ACHEBCHEFAAHABCC4CACNA1F
SCHEMBL13854750 0.91 ACHE (0.83) ACHEBCHEFAAHABCC4CACNA1F
Donepezil SCHEMBL12043710 0.91 BCHE (1.00) ACHEBCHEFAAHABCC4CACNA1F
Donepezil SCHEMBL3851203 0.91 BCHE (1.00) ACHEBCHEFAAHABCC4CACNA1F
Donepezil SCHEMBL8265876 0.91 BCHE (1.00) ACHEBCHEFAAHABCC4CACNA1F
Donepezil SCHEMBL2149 0.91 BCHE (1.00) ACHEBCHEFAAHABCC4CACNA1F
Donepezil SCHEMBL3516 0.91 BCHE (1.00) ACHEBCHEFAAHABCC4CACNA1F

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994328-B2 Process for the preparation of donepezil hydrochloride AUROBINDO PHARMA LTD. (IN) 2011-08-09 US disclosed
US-20100311793-A1 POLYMORPHS OF DONEPEZIL SALTS, PREPARATION METHODS AND USES THEREOF TIANJIN HEMAY BIO-TECH CO., LTD (CN) 2010-12-09 US disclosed
US-7446203-B2 Preparation of intermediates for acetycholinesterase inhibitors HETERO DRUGS LIMITED (IN) 2008-11-04 US disclosed
US-20070191610-A1 Process for the preparation of donepezil hydrochloride AUROBINDO PHARMA LTD (IN) 2007-08-16 US disclosed
US-20070021397-A1 Neurocyte protective agent EISAI CO., LTD. (JP) 2007-01-25 US 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-20070191610-A1 Process for the preparation of donepezil hydrochloride CHRNA5, QDPR, ACHE ACHE 3/4885BCHE 7/4885FAAH 1288/4885
US-20070021397-A1 Neurocyte protective agent CHAT, GAP43, NES ACHE 6/4885BCHE 26/4885FAAH 704/4885
US-20100311793-A1 POLYMORPHS OF DONEPEZIL SALTS, PREPARATION METHODS AND USES THEREOF ME1, SDHA, GLS ACHE 386/4885BCHE 377/4885FAAH 3000/4885

“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.