SCHEMBL1740586

SCHEMBL1740586

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

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
MAPT P10636 1/20 0.57
SIGMAR1 Q99720 16/20 0.55
KCNH2 Q12809 3/20 0.55
NOTUM Q6P988 1/20 0.50

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
SCHEMBL9978383 0.88 SIGMAR1 (0.59) SIGMAR1KCNH2
SCHEMBL9978275 0.81 SIGMAR1 (0.52) SIGMAR1KCNH2
SCHEMBL1895896 0.79 L3MBTL1 (0.50) SIGMAR1KCNH2
SCHEMBL17887004 0.78 L3MBTL1 (0.65) MAPTSIGMAR1KCNH2
SCHEMBL5336030 0.78 MAPT (0.64) POLBMAPTSIGMAR1
SCHEMBL1739906 0.77 POLB (0.56) POLBMAPTSIGMAR1KCNH2NOTUM
SCHEMBL16804455 0.77 MAPT (0.63) POLBMAPTNOTUM
SCHEMBL16433832 0.76 SIGMAR1 (0.52) SIGMAR1KCNH2
SCHEMBL19086967 0.76 SIGMAR1 (0.52) SIGMAR1KCNH2
SCHEMBL17633912 0.74 POLB (0.52) POLBMAPT

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 13 patents. 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 disclosed
EP-2576543-B1 PYRAZOLE COMPOUNDS AS SIGMA RECEPTOR INHIBITORS ESTEVE LABOR DR (ES) 2016-12-21 EP 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-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
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 (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-20130158029-A1 SIGMA RECEPTOR INHIBITORS SIGMAR1, TMEM97, OPRL1 POLB 1467/4885MAPT 1781/4885SIGMAR1 1/4885

“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.