SCHEMBL3995518

SCHEMBL3995518

CCCCN1CCC2(C1)OC(OC)c1ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.63
▸ SIGMAR1 Q99720 1/20 0.63
▸ KCNH2 Q12809 1/20 0.56

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
SCHEMBL8485367 0.95 ADRA2A (0.60) ADRA2ASIGMAR1
SCHEMBL8476002 0.87 SIGMAR1 (0.67) ADRA2ASIGMAR1
SCHEMBL8485702 0.85 SIGMAR1 (0.71) ADRA2ASIGMAR1
SCHEMBL4185676 0.82 ADRA2A (0.53) ADRA2ASIGMAR1KCNH2
SCHEMBL3918703 0.82 SIGMAR1 (0.86) ADRA2ASIGMAR1
SCHEMBL8487170 0.80 ADRA2A (0.69) ADRA2ASIGMAR1
SCHEMBL25358487 0.77 SIGMAR1 (1.00) ADRA2ASIGMAR1KCNH2
SCHEMBL8477148 0.76 SIGMAR1 (0.68) SIGMAR1
SCHEMBL3992698 0.76 SIGMAR1 (0.58) ADRA2ASIGMAR1KCNH2
SCHEMBL4190189 0.75 — —

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2038287-B1 SPIRO[BENZOPYRAN]OR SPIRO[BENZOFURAN]DERIVATIVES WHICH INHIBIT THE SIGMA RECEPTOR ESTEVE LABOR DR (ES) 2012-12-26 — — EP disclosed
US-20090209568-A1 Spiro [Benzopyran] or Spiro [Benzofuran] Derivatives Which Inhibit the Sigma Receptor LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2009-08-20 — — US disclosed
US-20090209568-A1 Spiro [Benzopyran] or Spiro [Benzofuran] Derivatives Which Inhibit the Sigma Receptor LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2009-08-20 — — US disclosed
EP-2038287-A1 SPIRO[BENZOPYRAN]OR SPIRO[BENZOFURAN]DERIVATIVES WHICH INHIBIT THE SIGMA RECEPTOR Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-03-25 — — EP disclosed
WO-2007121976-A1 SPIRO[BENZOPYRAN] OR SPIRO[BENZOFURAN] DERIVATIVES WHICH INHIBIT THE SIGMA RECEPTOR LABORATORIOS DEL. DR. ESTEVE, S.A. (ES) 2007-11-01 — — WO disclosed
WO-2007121976-A1 SPIRO[BENZOPYRAN] OR SPIRO[BENZOFURAN] DERIVATIVES WHICH INHIBIT THE SIGMA RECEPTOR LABORATORIOS DEL. DR. ESTEVE, S.A. (ES) 2007-11-01 — — WO disclosed
EP-1847542-A1 Spiro[benzopyran] or spiro[benzofuran] derivatives which inhibit the sigma receptor Laboratorios del Dr. Esteve S.A. (ES) 2007-10-24 — — 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-20090209568-A1 Spiro [Benzopyran] or Spiro [Benzofuran] Derivatives Which Inhibit the Sigma Receptor SIGMAR1, TMEM97, OPRD1 ADRA2A 46/4885SIGMAR1 1/4885KCNH2 1796/4885

“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.

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