SCHEMBL238605

SCHEMBL238605

Cc1nc(SCCN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 18/20 0.69
KCNH2 Q12809 1/20 0.54

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 SCHEMBL239186 0.99 SIGMAR1 (0.67) SIGMAR1KCNH2
Oxalic Acid SCHEMBL239746 0.94 SIGMAR1 (0.62) SIGMAR1KCNH2
SCHEMBL237715 0.94 SIGMAR1 (0.60) SIGMAR1KCNH2
SCHEMBL238452 0.93 SIGMAR1 (0.59) SIGMAR1KCNH2
SCHEMBL239982 0.92 SIGMAR1 (0.58) SIGMAR1KCNH2
SCHEMBL238868 0.90 SIGMAR1 (0.54) SIGMAR1KCNH2
SCHEMBL238794 0.89 SIGMAR1 (0.53) SIGMAR1KCNH2
SCHEMBL238110 0.89 SIGMAR1 (0.53) SIGMAR1KCNH2
Oxalic Acid SCHEMBL237551 0.88 SIGMAR1 (0.55) SIGMAR1KCNH2
SCHEMBL239978 0.88 SIGMAR1 (0.52) 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-8349878-B2 1,2,4-triazole derivatives as sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-01-08 US claimed
US-20120004211-A1 1,2,4-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-01-05 US claimed
EP-2097394-B1 1,2,4-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS ESTEVE LABOR DR (ES) 2013-12-25 EP disclosed
US-8039497-B2 1,2,4-triazole derivatives as sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-10-18 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-20120004211-A1 1,2,4-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS SIGMAR1, TMEM97, OPRK1 SIGMAR1 1/4885KCNH2 2052/4885

“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.