SCHEMBL2138710

SCHEMBL2138710

COc1cc2c(cc1OC)C(=O)C(CC1CCN(CC3CCCCC3)CC1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 1.00
BCHE P06276 6/20 0.67
FAAH O00519 1/20 0.67
ABCC4 O15439 1/20 0.67
CACNA1F O60840 1/20 0.67
PDE5A O76074 1/20 0.67
ABCB11 O95342 1/20 0.67
APP P05067 1/20 0.67
CHRM2 P08172 1/20 0.67
ABCB1 P08183 1/20 0.67
CYP3A4 P08684 1/20 0.67
CHRM5 P08912 1/20 0.67
ADRA2A P08913 1/20 0.67
CHRM1 P11229 1/20 0.67
ADRA2C P18825 1/20 0.67
DRD4 P21917 1/20 0.67
SLC6A2 P23975 1/20 0.67
MAOB P27338 1/20 0.67
AGTR1 P30556 1/20 0.67
ADRA1A P35348 1/20 0.67

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
Hydrochloric Acid SCHEMBL4207017 0.99 ACHE (0.98) ACHEBCHEFAAHABCC4CACNA1F
SCHEMBL14215561 0.89 ACHE (0.80) ACHEBCHEFAAHABCC4CACNA1F
SCHEMBL4201579 0.89 ACHE (0.80) ACHEBCHEFAAHABCC4CACNA1F
SCHEMBL4200443 0.89 ACHE (0.80) ACHEBCHEFAAHABCC4CACNA1F
SCHEMBL4199845 0.89 ACHE (0.80) ACHEBCHEFAAHABCC4CACNA1F
Hydrochloric Acid SCHEMBL4207095 0.88 ACHE (0.79) ACHEBCHEFAAHABCC4CACNA1F
Hydrochloric Acid SCHEMBL4213294 0.88 ACHE (0.79) ACHEBCHEFAAHABCC4CACNA1F
Hydrochloric Acid SCHEMBL4196260 0.88 ACHE (0.79) ACHEBCHEFAAHABCC4CACNA1F
SCHEMBL4203792 0.88 ACHE (0.78) ACHEBCHEFAAHABCC4CACNA1F
Hydrochloric Acid SCHEMBL4203039 0.87 ACHE (0.77) 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 104 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053981-A1 Methods and Compositions Using Cholinesterase Inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-03-03 US claimed
EP-2140868-A1 Use of a cholinesterase inhibitor for the treatment of dementia and cognitive impairments associated with or caused by chemotherapy Eisai R&D Management Co., Ltd. (JP) 2010-01-06 EP claimed
EP-2138177-A1 Use of a cholinesterase inhibitor for the treatment of dementia and cognitive impairments Eisai R&D Management Co., Ltd. (JP) 2009-12-30 EP claimed
EP-2133078-A1 Use of a cholinesterase inhibitor for the treatment of dementia and cognitive impairments Eisai R&D Management Co., Ltd. (JP) 2009-12-16 EP claimed
EP-2130538-A1 Use of a cholinesterase inhibitor for the delaying the onset of Alzheimer's disease Eisai R&D Management Co., Ltd. (JP) 2009-12-09 EP claimed
US-20090137629-A1 Sigma receptor binding agent containing indanone derivative IIMURA YOICHI 2009-05-28 US claimed
US-20090042939-A1 Methods and Compositions Using Cholinesterase Inhibitors EISAI CO., LTD. (JP) 2009-02-12 US claimed
US-20090042940-A1 METHODS AND COMPOSITIONS USING CHOLINESTERASE INHIBITORS EISAI CO., LTD. (JP) 2009-02-12 US claimed
US-20080312189-A1 Cadasil Treatment with Cholinesterase Inhibitors EISAI CO., LTD. (JP) 2008-12-18 US claimed
US-20080045500-A1 Nerve Regeneration Stimulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-02-21 US claimed
US-20040122051-A1 Methods for treating cognitive impairments or dementia EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-06-24 US claimed
WO-2004034963-A2 METHODS AND COMPOSITIONS USING CHOLINESTERASE INHIBITORS EISAI CO., LTD. (JP) 2004-04-29 WO claimed
US-6689795-B2 ADMINISTERING CHOLINESTERASE INHIBITOR SUCH AS 1-BENZYL-4-((5,6-DIMETHOXY-1-INDANON)-2-YL)METHYLPIPERIDINE HYDROCHLORIDE, WHICH IS ALSO KNOWN AS DONEPEZIL HYDROCHLORIDE FOR THERAPY OF DEMENTIA DUE TO HIV DISEASE EISAI CO., LTD. (JP) 2004-02-10 US claimed
WO-2003092606-A2 CHOLINESTERASE INHIBITORS TO PREVENT INJURIES CAUSED BY CHEMICALS EISAI CO., LTD. (JP) 2003-11-13 WO claimed
JP-2003525903-A 2003-09-02 JP claimed
EP-1311272-A1 NOVEL METHODS USING CHOLINESTERASE INHIBITORS Eisai Co., Ltd. (JP) 2003-05-21 EP claimed
EP-1311272-A4 NOVEL METHODS USING CHOLINESTERASE INHIBITORS EISAI CO LTD (JP) 2003-05-21 EP claimed
WO-2001066114-A1 NOVEL METHODS USING CHOLINESTERASE INHIBITORS EISAI CO., LTD. (JP) 2001-09-13 WO claimed
EP-0673927-A1 4-[2-indanyl-1-one]alkylpiperidines as anticholinergic agents Eisai Co., Ltd. (JP) 1995-09-27 EP claimed
EP-0296560-A2 1,4-Substituted piperidines as acetylcholinesterase inhibitors and their use for the treatment of Alzheimer's disease Eisai Co., Ltd. (JP) 1988-12-28 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20080045500-A1 Nerve Regeneration Stimulator ACHE, NGF, GAP43 ACHE 1/4885BCHE 5/4885FAAH 947/4885
US-20040122051-A1 Methods for treating cognitive impairments or dementia CHRNA5, CHRNA4, FCER2 ACHE 8/4885BCHE 50/4885FAAH 2510/4885
US-20090042939-A1 Methods and Compositions Using Cholinesterase Inhibitors PSEN1, BACE1, PSENEN ACHE 26/4885BCHE 137/4885FAAH 861/4885
US-20090137629-A1 Sigma receptor binding agent containing indanone derivative SIGMAR1, TMEM97, OPRK1 ACHE 608/4885BCHE 1667/4885FAAH 2437/4885
US-20080312189-A1 Cadasil Treatment with Cholinesterase Inhibitors NOTCH3, NOTCH2, NOTCH4 ACHE 156/4885BCHE 38/4885FAAH 1617/4885
US-20110053981-A1 Methods and Compositions Using Cholinesterase Inhibitors PSEN1, BACE1, PSENEN ACHE 26/4885BCHE 137/4885FAAH 861/4885
US-20090042940-A1 METHODS AND COMPOSITIONS USING CHOLINESTERASE INHIBITORS PSEN1, BACE1, PSENEN ACHE 26/4885BCHE 137/4885FAAH 861/4885

“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.