SCHEMBL4201561

SCHEMBL4201561

CCOc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 8/20 0.89
ACHE P22303 8/20 0.89
FAAH O00519 1/20 0.89
ABCC4 O15439 1/20 0.89
CACNA1F O60840 1/20 0.89
PDE5A O76074 1/20 0.89
ABCB11 O95342 1/20 0.89
APP P05067 1/20 0.89
CHRM2 P08172 1/20 0.89
ABCB1 P08183 1/20 0.89
CYP3A4 P08684 1/20 0.89
CHRM5 P08912 1/20 0.89
ADRA2A P08913 1/20 0.89
CHRM1 P11229 1/20 0.89
ADRA2C P18825 1/20 0.89
DRD4 P21917 1/20 0.89
SLC6A2 P23975 1/20 0.89
MAOB P27338 1/20 0.89
AGTR1 P30556 1/20 0.89
ADRA1A P35348 1/20 0.89

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
SCHEMBL4207911 1.00 BCHE (0.89) BCHEACHEFAAHABCC4CACNA1F
Hydrochloric Acid SCHEMBL4206051 0.99 BCHE (0.89) BCHEACHEFAAHABCC4CACNA1F
Hydrochloric Acid SCHEMBL4199958 0.99 BCHE (0.89) BCHEACHEFAAHABCC4CACNA1F
SCHEMBL218589 0.96 BCHE (0.81) BCHEACHEFAAHABCC4CACNA1F
Hydrochloric Acid SCHEMBL4199744 0.95 BCHE (0.81) BCHEACHEFAAHABCC4CACNA1F
Donepezil SCHEMBL3516 0.94 BCHE (1.00) BCHEACHEFAAHABCC4CACNA1F
Donepezil SCHEMBL3851203 0.94 BCHE (1.00) BCHEACHEFAAHABCC4CACNA1F
Donepezil SCHEMBL12043710 0.94 BCHE (1.00) BCHEACHEFAAHABCC4CACNA1F
Donepezil SCHEMBL8265876 0.94 BCHE (1.00) BCHEACHEFAAHABCC4CACNA1F
Donepezil SCHEMBL2149 0.94 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137629-A1 Sigma receptor binding agent containing indanone derivative IIMURA YOICHI 2009-05-28 US claimed
US-20050107432-A1 Sigma receptor binder containing indanone derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-05-19 US claimed
EP-1468684-A1 SIGMA RECEPTOR BINDER CONTAINING INDANONE DERIVATIVE Eisai Co., Ltd. (JP) 2004-10-20 EP claimed
US-20090137629-A1 Sigma receptor binding agent containing indanone derivative IIMURA YOICHI 2009-05-28 US disclosed
US-20090137629-A1 Sigma receptor binding agent containing indanone derivative IIMURA YOICHI 2009-05-28 US disclosed
EP-1209151-B1 4-SUBSTITUTED PIPERIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2007-04-25 EP disclosed
US-7091218-B1 4-substituted piperidine compound EISAI CO., LTD. (JP) 2006-08-15 US disclosed
US-20050107432-A1 Sigma receptor binder containing indanone derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-05-19 US disclosed
EP-1468684-A1 SIGMA RECEPTOR BINDER CONTAINING INDANONE DERIVATIVE Eisai Co., Ltd. (JP) 2004-10-20 EP disclosed
EP-1209151-A1 4-SUBSTITUTED PIPERIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2002-05-29 EP 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-20090137629-A1 Sigma receptor binding agent containing indanone derivative SIGMAR1, TMEM97, OPRK1 BCHE 1667/4885ACHE 608/4885FAAH 2437/4885
US-20050107432-A1 Sigma receptor binder containing indanone derivative SIGMAR1, OPRK1, TMEM97 BCHE 3026/4885ACHE 2667/4885FAAH 2682/4885

“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.