SCHEMBL13232137

SCHEMBL13232137

CC(=O)c1c(OCCCCN2CCOCC2)nn(-c2ccc(Cl)c(Cl)c2)c1C

nearest known ligand 0.89

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 19/20 0.89
KCNH2 Q12809 1/20 0.57

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
SCHEMBL467402 0.94 SIGMAR1 (1.00) SIGMAR1KCNH2
Oxalic Acid SCHEMBL19691742 0.92 SIGMAR1 (0.94) SIGMAR1KCNH2
SCHEMBL5184983 0.92 SIGMAR1 (0.94) SIGMAR1KCNH2
Oxalic Acid SCHEMBL1896696 0.92 SIGMAR1 (0.94) SIGMAR1KCNH2
SCHEMBL467254 0.85 SIGMAR1 (0.84) SIGMAR1KCNH2
SCHEMBL467255 0.85 SIGMAR1 (0.82) SIGMAR1KCNH2
Oxalic Acid SCHEMBL19691744 0.83 SIGMAR1 (0.79) SIGMAR1KCNH2
Oxalic Acid SCHEMBL1897462 0.83 SIGMAR1 (0.79) SIGMAR1KCNH2
Oxalic Acid SCHEMBL19692414 0.82 SIGMAR1 (0.78) SIGMAR1KCNH2
Oxalic Acid SCHEMBL1897458 0.82 SIGMAR1 (0.78) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314096-B2 Sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-11-20 US disclosed
US-8314096-B2 Sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-11-20 US disclosed
US-20100190781-A1 SIGMA RECEPTOR INHIBITORS ESTEVE PHARMACEUTICALS, S.A. (ES) 2010-07-29 US disclosed
US-20100190781-A1 SIGMA RECEPTOR INHIBITORS ESTEVE PHARMACEUTICALS, S.A. (ES) 2010-07-29 US 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-20100190781-A1 SIGMA RECEPTOR INHIBITORS SIGMAR1, TMEM97, OPRL1 SIGMAR1 1/4885KCNH2 1365/4885

“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.