SCHEMBL4500443

SCHEMBL4500443

CC(=O)C1CCN(CCOc2ccn(-c3ccc(Cl)c(Cl)c3)n2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 20/20 1.00
KCNH2 Q12809 2/20 1.00

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
Oxalic Acid SCHEMBL4515225 0.97 SIGMAR1 (0.94) SIGMAR1KCNH2
SCHEMBL4521954 0.89 SIGMAR1 (0.80) SIGMAR1KCNH2
Oxalic Acid SCHEMBL4508376 0.86 SIGMAR1 (0.75) SIGMAR1KCNH2
SCHEMBL8234157 0.86 SIGMAR1 (0.75) SIGMAR1KCNH2
SCHEMBL4560092 0.84 SIGMAR1 (0.78) SIGMAR1KCNH2
SCHEMBL12187054 0.84 SIGMAR1 (0.76) SIGMAR1KCNH2
SCHEMBL8234160 0.83 SIGMAR1 (0.71) SIGMAR1KCNH2
Oxalic Acid SCHEMBL466854 0.83 SIGMAR1 (0.71) SIGMAR1KCNH2
SCHEMBL9974264 0.83 SIGMAR1 (0.77) SIGMAR1KCNH2
SCHEMBL467006 0.83 SIGMAR1 (1.00) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120232093-A1 PYRAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-09-13 US claimed
US-8202872-B2 Pyrazole derivatives as sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-06-19 US claimed
US-20090264442-A1 PYRAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVES, S.A. (ES) 2009-10-22 US claimed
EP-1994032-A1 PYRAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS Laboratorios del Dr. Esteve S.A. (ES) 2008-11-26 EP claimed
WO-2007098953-A1 PYRAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-09-07 WO claimed
US-20120232093-A1 PYRAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-09-13 US disclosed
US-20120232093-A1 PYRAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-09-13 US disclosed
US-8202872-B2 Pyrazole derivatives as sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-06-19 US disclosed
US-8202872-B2 Pyrazole derivatives as sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-06-19 US disclosed
US-20090264442-A1 PYRAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVES, S.A. (ES) 2009-10-22 US disclosed
US-20090264442-A1 PYRAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVES, S.A. (ES) 2009-10-22 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 (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-20090264442-A1 PYRAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS SIGMAR1, TMEM97, OPRK1 SIGMAR1 1/4885KCNH2 1469/4885
US-20120232093-A1 PYRAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS SIGMAR1, TMEM97, OPRK1 SIGMAR1 1/4885KCNH2 1469/4885

“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.