SCHEMBL1738644

SCHEMBL1738644

Cc1cc(COCCN2CCCC2)nn1-c1ccc(Cl)c(Cl)c1

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 3/20 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
SCHEMBL1738603 0.99 SIGMAR1 (1.00) SIGMAR1KCNH2
SCHEMBL1737898 0.90 SIGMAR1 (1.00) SIGMAR1KCNH2
SCHEMBL1738807 0.87 SIGMAR1 (1.00) SIGMAR1KCNH2
SCHEMBL9978315 0.85 SIGMAR1 (0.84) SIGMAR1KCNH2
SCHEMBL9978522 0.84 SIGMAR1 (0.82) SIGMAR1KCNH2
SCHEMBL1738268 0.84 SIGMAR1 (1.00) SIGMAR1KCNH2
SCHEMBL9978336 0.84 SIGMAR1 (1.00) SIGMAR1KCNH2
SCHEMBL467323 0.81 SIGMAR1 (1.00) SIGMAR1KCNH2
SCHEMBL1740217 0.81 SIGMAR1 (0.83) SIGMAR1KCNH2
SCHEMBL466915 0.81 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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2576543-B1 PYRAZOLE COMPOUNDS AS SIGMA RECEPTOR INHIBITORS ESTEVE LABOR DR (ES) 2016-12-21 EP claimed
US-9181195-B2 Sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2015-11-10 US claimed
US-20130158029-A1 SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-06-20 US claimed
EP-2576543-A1 PYRAZOLE COMPOUNDS AS SIGMA RECEPTOR INHIBITORS Laboratorios del Dr. Esteve S.A. (ES) 2013-04-10 EP claimed
EP-2395003-A1 Pyrazole compounds as sigma receptor inhibitors Laboratorios Del. Dr. Esteve, S.A. (ES) 2011-12-14 EP claimed
WO-2011147910-A1 PYRAZOLE COMPOUNDS AS SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-12-01 WO claimed
EP-3233078-A1 USE OF SIGMA RECEPTOR LIGANDS IN OSTEOARTHRITIS Laboratorios Del. Dr. Esteve, S.A. (ES) 2017-10-25 EP disclosed
US-20170273948-A1 USE OF SIGMA RECEPTOR LIGANDS IN OSTEOARTHRITIS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2017-09-28 US disclosed
EP-2576543-B1 PYRAZOLE COMPOUNDS AS SIGMA RECEPTOR INHIBITORS ESTEVE LABOR DR (ES) 2016-12-21 EP disclosed
EP-2576543-B1 PYRAZOLE COMPOUNDS AS SIGMA RECEPTOR INHIBITORS ESTEVE LABOR DR (ES) 2016-12-21 EP disclosed
WO-2016096125-A1 USE OF SIGMA RECEPTOR LIGANDS IN OSTEOARTHRITIS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2016-06-23 WO disclosed
US-9181195-B2 Sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2015-11-10 US disclosed
US-9181195-B2 Sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2015-11-10 US disclosed
US-20130158029-A1 SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-06-20 US disclosed
US-20130158029-A1 SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-06-20 US disclosed
US-20130158029-A1 SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-06-20 US disclosed
EP-2576543-A1 PYRAZOLE COMPOUNDS AS SIGMA RECEPTOR INHIBITORS Laboratorios del Dr. Esteve S.A. (ES) 2013-04-10 EP disclosed
EP-2395003-A1 Pyrazole compounds as sigma receptor inhibitors Laboratorios Del. Dr. Esteve, S.A. (ES) 2011-12-14 EP disclosed
WO-2011147910-A1 PYRAZOLE COMPOUNDS AS SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-12-01 WO disclosed
WO-2011147910-A1 PYRAZOLE COMPOUNDS AS SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-12-01 WO 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-20130158029-A1 SIGMA RECEPTOR INHIBITORS SIGMAR1, TMEM97, OPRL1 SIGMAR1 1/4885KCNH2 1259/4885
US-20170273948-A1 USE OF SIGMA RECEPTOR LIGANDS IN OSTEOARTHRITIS SIGMAR1, OPRL1, OPRK1 SIGMAR1 1/4885KCNH2 2571/4885

“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.