SCHEMBL3918811

SCHEMBL3918811

COC1Cc2ccccc2C2(CCCN(CCCc3ccccc3)C2)O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.78
▸ HTR2A P28223 1/20 0.78
▸ HRH1 P35367 1/20 0.78
▸ SIGMAR1 Q99720 1/20 0.78

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
SCHEMBL3928988 1.00 ADRA2A (0.78) ADRA2AHTR2AHRH1SIGMAR1
SCHEMBL8475597 1.00 ADRA2A (0.78) ADRA2AHTR2AHRH1SIGMAR1
SCHEMBL8474195 1.00 ADRA2A (0.78) ADRA2AHTR2AHRH1SIGMAR1
SCHEMBL4187627 1.00 ADRA2A (0.78) ADRA2AHTR2AHRH1SIGMAR1
SCHEMBL3916014 0.97 SIGMAR1 (0.78) SIGMAR1
SCHEMBL3988635 0.97 SIGMAR1 (0.78) SIGMAR1
SCHEMBL13744364 0.97 SIGMAR1 (0.78) SIGMAR1
SCHEMBL3916015 0.97 SIGMAR1 (0.78) SIGMAR1
SCHEMBL13744097 0.97 SIGMAR1 (0.78) SIGMAR1
SCHEMBL8482642 0.94 SIGMAR1 (0.77) SIGMAR1

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 9 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 claimed
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 claimed
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 claimed
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 claimed
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
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
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 46/4885HTR2A 96/4885HRH1 1288/4885

“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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