SCHEMBL4554589

SCHEMBL4554589

COc1cc2c(cc1O)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.85
ACHE P22303 6/20 0.85
FAAH O00519 1/20 0.85
ABCC4 O15439 1/20 0.85
CACNA1F O60840 1/20 0.85
PDE5A O76074 1/20 0.85
ABCB11 O95342 1/20 0.85
APP P05067 1/20 0.85
CHRM2 P08172 1/20 0.85
ABCB1 P08183 1/20 0.85
CYP3A4 P08684 1/20 0.85
CHRM5 P08912 1/20 0.85
ADRA2A P08913 1/20 0.85
CHRM1 P11229 1/20 0.85
ADRA2C P18825 1/20 0.85
DRD4 P21917 1/20 0.85
SLC6A2 P23975 1/20 0.85
MAOB P27338 1/20 0.85
AGTR1 P30556 1/20 0.85
ADRA1A P35348 1/20 0.85

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
SCHEMBL31052915 0.96 BCHE (0.85) BCHEACHEFAAHABCC4CACNA1F
SCHEMBL4934899 0.96 BCHE (0.85) BCHEACHEFAAHABCC4CACNA1F
Hydrochloric Acid SCHEMBL4929197 0.95 BCHE (0.85) BCHEACHEFAAHABCC4CACNA1F
Donepezil SCHEMBL14674406 0.92 BCHE (0.96) BCHEACHEFAAHABCC4CACNA1F
Donepezil SCHEMBL18815528 0.92 BCHE (0.96) BCHEACHEFAAHABCC4CACNA1F
Donepezil SCHEMBL12043710 0.92 BCHE (1.00) BCHEACHEFAAHABCC4CACNA1F
Donepezil SCHEMBL3516 0.92 BCHE (1.00) BCHEACHEFAAHABCC4CACNA1F
Donepezil SCHEMBL2149 0.92 BCHE (1.00) BCHEACHEFAAHABCC4CACNA1F
Donepezil SCHEMBL3851203 0.92 BCHE (1.00) BCHEACHEFAAHABCC4CACNA1F
Donepezil SCHEMBL8265876 0.92 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112641773-A Composition containing heterocyclic compound and use thereof 黄泳华 2021-04-13 CN claimed
CN-111265524-A Compositions containing mixtures of indene or indane derivatives and uses thereof 黄泳华 2020-06-12 CN claimed
CN-112641773-A Composition containing heterocyclic compound and use thereof 黄泳华 2021-04-13 CN disclosed
CN-111265524-A Compositions containing mixtures of indene or indane derivatives and uses thereof 黄泳华 2020-06-12 CN disclosed
US-8580822-B2 Compositions, synthesis, and methods of using indanone based cholinesterase inhibitors REVIVA PHARMACEUTICALS, INC. (US) 2013-11-12 US disclosed
US-8580822-B2 Compositions, synthesis, and methods of using indanone based cholinesterase inhibitors REVIVA PHARMACEUTICALS, INC. (US) 2013-11-12 US disclosed
US-20120252842-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING INDANONE BASED CHOLINESTERASE INHIBITORS REVIVA PHARMACEUTICALS, INC. (US) 2012-10-04 US disclosed
US-20120252842-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING INDANONE BASED CHOLINESTERASE INHIBITORS REVIVA PHARMACEUTICALS, INC. (US) 2012-10-04 US disclosed
US-8247563-B2 5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-one ; for therapy of Alzheimer's disease, myasthenia gravis, Huntingtons disease or glaucoma REVIVA PHARMACEUTICALS, INC. (US) 2012-08-21 US disclosed
EP-2114166-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING INDANONE BASED CHOLINESTERASE INHIBITORS Reviva Pharmaceuticals, Inc. (US) 2009-11-11 EP disclosed
US-20080153878-A1 Compositions, synthesis, and methods of using indanone based cholinesterase inhibitors REVIVA PHARMACEUTICALS, INC. (US) 2008-06-26 US disclosed
US-20080153878-A1 Compositions, synthesis, and methods of using indanone based cholinesterase inhibitors REVIVA PHARMACEUTICALS, INC. (US) 2008-06-26 US disclosed
WO-2008073452-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING INDANONE BASED CHOLINESTERASE INHIBITORS REVIVA PHARMACEUTICALS, INC. (US) 2008-06-19 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 (2 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-20080153878-A1 Compositions, synthesis, and methods of using indanone based cholinesterase inhibitors ACHE, BCHE, CHKA BCHE 2/4885ACHE 1/4885FAAH 827/4885
US-20120252842-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING INDANONE BASED CHOLINESTERASE INHIBITORS ACHE, BCHE, CHKA BCHE 2/4885ACHE 1/4885FAAH 827/4885

“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.