SCHEMBL4838247

SCHEMBL4838247

COc1ccc2c(c1)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.76
ACHE P22303 3/20 0.76
FAAH O00519 1/20 0.76
ABCC4 O15439 1/20 0.76
CACNA1F O60840 1/20 0.76
PDE5A O76074 1/20 0.76
ABCB11 O95342 1/20 0.76
APP P05067 1/20 0.76
CHRM2 P08172 1/20 0.76
ABCB1 P08183 1/20 0.76
CYP3A4 P08684 1/20 0.76
CHRM5 P08912 1/20 0.76
ADRA2A P08913 1/20 0.76
CHRM1 P11229 1/20 0.76
ADRA2C P18825 1/20 0.76
DRD4 P21917 1/20 0.76
SLC6A2 P23975 1/20 0.76
MAOB P27338 1/20 0.76
AGTR1 P30556 1/20 0.76
ADRA1A P35348 1/20 0.76

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
SCHEMBL251556 0.92 BCHE (0.76) BCHEACHEFAAHABCC4CACNA1F
Hydrochloric Acid SCHEMBL4203132 0.91 BCHE (0.76) BCHEACHEFAAHABCC4CACNA1F
Donepezil SCHEMBL3516 0.86 BCHE (1.00) BCHEACHEFAAHABCC4CACNA1F
Donepezil SCHEMBL8265876 0.86 BCHE (1.00) BCHEACHEFAAHABCC4CACNA1F
Donepezil SCHEMBL3851203 0.86 BCHE (1.00) BCHEACHEFAAHABCC4CACNA1F
Donepezil SCHEMBL12043710 0.86 BCHE (1.00) BCHEACHEFAAHABCC4CACNA1F
Donepezil SCHEMBL2149 0.86 BCHE (1.00) BCHEACHEFAAHABCC4CACNA1F
SCHEMBL7652037 0.86 BCHE (0.62) BCHEACHEFAAHABCC4CACNA1F
SCHEMBL9581596 0.86 BCHE (0.62) BCHEACHEFAAHABCC4CACNA1F
Donepezil SCHEMBL1559622 0.85 BCHE (1.00) BCHEACHEFAAHABCC4CACNA1F

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-7446203-B2 Preparation of intermediates for acetycholinesterase inhibitors HETERO DRUGS LIMITED (IN) 2008-11-04 US disclosed
EP-1654230-A1 PREPARATION OF INTERMEDIATES FOR ACETYL CHOLINESTERASE INHIBITORS Hetero Drugs Limited (IN) 2006-05-10 EP disclosed
US-20060041140-A1 5,6-dimethoxy-2-(4-pyridyl)methyl-1-indanone is hydrogenated using platinum oxide catalyst in the presence of hydrochloric acid under a pressure of 2 bars to give 4-[(5,6-dimethoxy-1-indanon)-2-yl]methylpiperidine hydrochloride HETERO DRUGS LIMITED (IN) 2006-02-23 US disclosed
EP-1047674-B1 PROCESS FOR PRODUCTION OF DONEPEZIL DERIVATIVES EISAI CO LTD (JP) 2005-03-30 EP disclosed
WO-2005003092-A1 PREPARATION OF INTERMEDIATES FOR ACETYL CHOLINESTERASE INHIBITORS HETERO DRUGS LIMITED (IN) 2005-01-13 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-20060041140-A1 5,6-dimethoxy-2-(4-pyridyl)methyl-1-indanone is hydrogenated using platinum oxide catalyst in the presence of hydrochloric acid under a pressure of 2 bars to give 4-[(5,6-dimethoxy-1-indanon)-2-yl]methylpiperidine hydrochloride ACHE, IDH2, IMPDH2 BCHE 12/4885ACHE 1/4885FAAH 3009/4885

“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.