SCHEMBL4514469

SCHEMBL4514469

Cn1ccc2c1CCCC2CCO

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.38
CYP19A1 P11511 4/20 0.37
TBXAS1 P24557 4/20 0.37
TMEM97 Q5BJF2 1/20 0.34

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
SCHEMBL4526093 0.85 SIGMAR1 (0.37) SIGMAR1CYP19A1TBXAS1TMEM97
SCHEMBL19594331 0.79 UGT2B17 (0.40)
SCHEMBL16363088 0.79 UGT2B17 (0.40)
SCHEMBL13881100 0.77 AHR (0.37)
SCHEMBL13881109 0.77 AHR (0.37)
SCHEMBL1265230 0.75 ACHE (0.33) CYP19A1TBXAS1
SCHEMBL19657011 0.75 MAOB (0.33)
SCHEMBL4523915 0.73 SIGMAR1 (0.40) SIGMAR1
SCHEMBL4520692 0.73 SIGMAR1 (0.71) SIGMAR1TMEM97
Oxalic Acid SCHEMBL4533958 0.72 SIGMAR1 (0.65) SIGMAR1TMEM97

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-1996548-B1 SIGMA RECEPTOR COMPOUNDS ESTEVE LABOR DR (ES) 2016-01-06 EP disclosed
EP-1996548-B1 SIGMA RECEPTOR COMPOUNDS ESTEVE LABOR DR (ES) 2016-01-06 EP disclosed
US-8481567-B2 Sigma receptor compounds LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-07-09 US disclosed
US-8481567-B2 Sigma receptor compounds LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-07-09 US disclosed
US-8481567-B2 Sigma receptor compounds LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-07-09 US disclosed
US-20090197915-A1 SIGMA RECEPTOR COMPOUNDS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2009-08-06 US disclosed
US-20090197915-A1 SIGMA RECEPTOR COMPOUNDS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2009-08-06 US disclosed
US-20090197915-A1 SIGMA RECEPTOR COMPOUNDS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2009-08-06 US disclosed
EP-1996548-A1 SIGMA RECEPTOR COMPOUNDS Laboratorios del Dr. Esteve S.A. (ES) 2008-12-03 EP disclosed
WO-2007098962-A1 SIGMA RECEPTOR COMPOUNDS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-09-07 WO disclosed
WO-2007098962-A1 SIGMA RECEPTOR COMPOUNDS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-09-07 WO disclosed
EP-1829862-A1 Sigma receptor compounds LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-09-05 EP disclosed
EP-1829862-A1 Sigma receptor compounds LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-09-05 EP 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-20090197915-A1 SIGMA RECEPTOR COMPOUNDS SIGMAR1, OPRL1, OPRK1 SIGMAR1 1/4885CYP19A1 904/4885TBXAS1 859/4885

“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.