SCHEMBL13744122

SCHEMBL13744122

COC1OC2(CCNC2)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.53
▸ ADRA2A P08913 1/20 0.53
▸ TMEM97 Q5BJF2 2/20 0.49
▸ HTR2A P28223 2/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36

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
SCHEMBL8494118 0.76 SIGMAR1 (0.84) SIGMAR1ADRA2ATMEM97HTR2A
SCHEMBL11781458 0.75 OPRD1 (0.46) SIGMAR1HTR2ADRD2SLC6A2HTR2C
SCHEMBL13744353 0.73 SIGMAR1 (0.55) SIGMAR1ADRA2ATMEM97
SCHEMBL13744400 0.71 SIGMAR1 (0.50) SIGMAR1ADRA2ATMEM97
SCHEMBL736557 0.71 SIGMAR1 (0.52) SIGMAR1ADRA2A
SCHEMBL2360287 0.71 SIGMAR1 (0.52) SIGMAR1ADRA2A
SCHEMBL3917884 0.71 SIGMAR1 (0.42) SIGMAR1ADRA2ATMEM97HTR2A
SCHEMBL5271760 0.70 — —
SCHEMBL25358487 0.69 SIGMAR1 (1.00) SIGMAR1ADRA2AHTR2A
SCHEMBL3919858 0.69 SIGMAR1 (0.71) SIGMAR1ADRA2AHTR2A

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 4 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
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

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 SIGMAR1 1/4885ADRA2A 46/4885TMEM97 2/4885

“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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