SCHEMBL3314667

SCHEMBL3314667

CCCC(OC)C(CCC([InH2])CC1CCN(C(=O)OC)CC1)OC

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.36
CTSK P43235 1/20 0.33
THRB P10828 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
CYP2D6 P10635 1/20 0.32
GAA P10253 1/20 0.31
EPHX1 P07099 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
BRDT Q58F21 1/20 0.30

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
SCHEMBL3315020 0.89
SCHEMBL699953 0.74 CPN1 (0.30)
SCHEMBL8245494 0.72 CYP2D6 (0.47) BRD4THRBATML3MBTL1CHRNB2
SCHEMBL13498638 0.70 BRD4 (0.47) BRD4THRBATML3MBTL1CYP2D6
SCHEMBL8286682 0.70 BRD4 (0.49) BRD4THRBATML3MBTL1CHRNB2
SCHEMBL13597243 0.68 POLB (0.48) BRD4THRBATML3MBTL1GAA
SCHEMBL13832733 0.68 BRD4 (0.42) BRD4THRBATML3MBTL1CHRNB2
SCHEMBL13832731 0.68 BRD4 (0.42) BRD4THRBATML3MBTL1CHRNB2
SCHEMBL10191757 0.67 BRD4 (0.43) BRD4CTSKTHRBATML3MBTL1
SCHEMBL30803864 0.67 BRD4 (0.43) BRD4CTSKTHRBATML3MBTL1

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
US-20100113793-A1 Process for the Preparation of Highly Pure Donepezil IND-SWIFT LABORATORIES LIMITED (IN) 2010-05-06 US disclosed
US-20100105916-A1 Processes for Preparing Donepezil Sterling Biotech Limited (IN) 2010-04-29 US disclosed
WO-2007108011-A2 PROCESS FOR THE PREPARATION OF HIGHLY PURE DONEPEZIL IND-SWIFT LABORATORIES LIMITED (IN) 2007-09-27 WO disclosed
EP-1531151-B1 A process for the preparation of 1-benzyl-4-¬(5,6-dimethoxy-1-indanon)-2-yl| methyl piperidine hydrochloride (donepezil hcl) USV LTD (IN) 2007-03-07 EP disclosed
US-6953856-B2 Process for the preparation of 1-benzyl-4-(5,6-dimethoxy-1-indanon)-2-yl) methyl piperidine hydrochloride (Donepezil HCI) USV, LIMITED (IN) 2005-10-11 US disclosed
EP-1531151-A1 A process for the preparation of 1-benzyl-4-[(5,6-dimethoxy-1-indanon)-2-yl] methyl piperidine hydrochloride (donepezil hcl) USV Limited (IN) 2005-05-18 EP disclosed
US-20040158070-A1 Process for the preparation of 1-benzyl-4-(5,6-dimethoxy-1-indanon)-2-yl) methyl piperidine hydrochloride (Donepezil HCI) USV LIMITED, BSD MARG. (IN) 2004-08-12 US disclosed
US-6649765-B1 Hydrogenating 5,6-Dimethoxy-2-(pyridin-4-yl)methylene indan-1-one in the presence of catalysts, then alkylating with benzyl bromide, to form drugs used for prophylaxis of nervous system disorders; by product inhibition USV LIMITED, BSD MARG. (IN) 2003-11-18 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-20100113793-A1 Process for the Preparation of Highly Pure Donepezil PSEN1, ACHE, PSEN2 BRD4 1890/4885CTSK 2012/4885THRB 4506/4885
US-20040158070-A1 Process for the preparation of 1-benzyl-4-(5,6-dimethoxy-1-indanon)-2-yl) methyl piperidine hydrochloride (Donepezil HCI) HCN1, HNMT, H1-5 BRD4 472/4885CTSK 2617/4885THRB 4268/4885
US-20100105916-A1 Processes for Preparing Donepezil HNMT, PNMT, PSEN1 BRD4 882/4885CTSK 2285/4885THRB 3682/4885

“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.