SCHEMBL1980480

SCHEMBL1980480

CC(=O)N1CCC(CCOc2ccn(-c3ccc(Cl)c(Cl)c3)n2)CC1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 20/20 0.64
KCNH2 Q12809 2/20 0.64

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
SCHEMBL8234157 0.84 SIGMAR1 (0.75) SIGMAR1KCNH2
Oxalic Acid SCHEMBL466854 0.81 SIGMAR1 (0.71) SIGMAR1KCNH2
SCHEMBL4500443 0.78 SIGMAR1 (1.00) SIGMAR1KCNH2
SCHEMBL23005526 0.78 SIGMAR1 (0.51) SIGMAR1KCNH2
Oxalic Acid SCHEMBL4515225 0.76 SIGMAR1 (0.94) SIGMAR1KCNH2
SCHEMBL9974264 0.75 SIGMAR1 (0.77) SIGMAR1KCNH2
SCHEMBL731151 0.74 SIGMAR1 (0.67) SIGMAR1KCNH2
SCHEMBL12187054 0.72 SIGMAR1 (0.76) SIGMAR1KCNH2
SCHEMBL467006 0.72 SIGMAR1 (1.00) SIGMAR1KCNH2
SCHEMBL16424445 0.71 SIGMAR1 (0.54) SIGMAR1KCNH2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2503994-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING SIGMA RECEPTOR LIGANDS ESTEVE LABOR DR (ES) 2017-07-05 EP claimed
EP-2503994-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING SIGMA RECEPTOR LIGANDS ESTEVE LABOR DR (ES) 2017-07-05 EP disclosed
US-9241927-B2 Pharmaceutical compositions comprising sigma receptor ligands Laboratories Del Dr, Esteve, S.A. (ES) 2016-01-26 US disclosed
US-20120283262-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING SIGMA RECEPTOR LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-11-08 US disclosed
EP-2335688-A1 Pharmaceutical compositions comprising sigma receptor ligands Laboratorios Del. Dr. Esteve, S.A. (ES) 2011-06-22 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 (1 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-20120283262-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING SIGMA RECEPTOR LIGANDS SIGMAR1, OPRM1, OPRL1 SIGMAR1 1/4885KCNH2 2227/4885

“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.