SCHEMBL4196384

SCHEMBL4196384

O=C1c2ccccc2CC1CC1CCN(Cc2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.70
BCHE P06276 3/20 0.69
FAAH O00519 1/20 0.69
ABCC4 O15439 1/20 0.69
CACNA1F O60840 1/20 0.69
PDE5A O76074 1/20 0.69
ABCB11 O95342 1/20 0.69
APP P05067 1/20 0.69
CHRM2 P08172 1/20 0.69
ABCB1 P08183 1/20 0.69
CYP3A4 P08684 1/20 0.69
CHRM5 P08912 1/20 0.69
ADRA2A P08913 1/20 0.69
CHRM1 P11229 1/20 0.69
ADRA2C P18825 1/20 0.69
DRD4 P21917 1/20 0.69
SLC6A2 P23975 1/20 0.69
MAOB P27338 1/20 0.69
AGTR1 P30556 1/20 0.69
ADRA1A P35348 1/20 0.69

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 SCHEMBL4198658 0.99 ACHE (0.69) ACHEBCHEFAAHABCC4CACNA1F
SCHEMBL13854687 0.91 ACHE (0.67) ACHEBCHEFAAHABCC4CACNA1F
SCHEMBL7829371 0.89 SIGMAR1 (0.65) ACHESIGMAR1
Hydrochloric Acid SCHEMBL7836184 0.88 SIGMAR1 (0.63) ACHESIGMAR1
SCHEMBL8077491 0.84 BCHE (0.72) ACHEBCHEFAAHABCC4CACNA1F
SCHEMBL8229169 0.84 BCHE (0.75) ACHEBCHEFAAHABCC4CACNA1F
SCHEMBL11913989 0.84 BCHE (0.75) ACHEBCHEFAAHABCC4CACNA1F
SCHEMBL24390900 0.83 BCHE (0.74) ACHEBCHEFAAHABCC4CACNA1F
SCHEMBL251556 0.83 BCHE (0.76) ACHEBCHEFAAHABCC4CACNA1F
SCHEMBL4838247 0.83 BCHE (0.76) 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 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
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-0711756-B1 Process for the production of benzyl-piperidylmethyl-indanone BAYER AG (DE) 1998-07-22 EP disclosed
US-5606064-A Process for the preparation of benzyl-piperidylmethyl-indanones BAYER AKTIENGESELLSCHAFT (DE) 1997-02-25 US disclosed
EP-0711756-A1 Process for the production of benzyl-piperidylmethyl-indanone BAYER AG (DE) 1996-05-15 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 ACHE 608/4885BCHE 1667/4885FAAH 2437/4885
US-20050107432-A1 Sigma receptor binder containing indanone derivative SIGMAR1, OPRK1, TMEM97 ACHE 2667/4885BCHE 3026/4885FAAH 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.