SCHEMBL955672

SCHEMBL955672

ClCCC1CCCc2c1cnn2-c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.66
TMEM97 Q5BJF2 1/20 0.66
DHODH Q02127 8/20 0.45
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40

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
SCHEMBL3377712 1.00 SIGMAR1 (0.66) SIGMAR1TMEM97DHODHKEAP1NFE2L2
SCHEMBL3455854 1.00 SIGMAR1 (0.66) SIGMAR1TMEM97DHODHKEAP1NFE2L2
SCHEMBL3455799 0.88 SIGMAR1 (0.67) SIGMAR1TMEM97DHODHKEAP1NFE2L2
SCHEMBL956196 0.88 SIGMAR1 (0.67) SIGMAR1TMEM97DHODHKEAP1NFE2L2
SCHEMBL3380893 0.88 SIGMAR1 (0.67) SIGMAR1TMEM97DHODHKEAP1NFE2L2
SCHEMBL9277437 0.88 SIGMAR1 (0.67) SIGMAR1TMEM97DHODHKEAP1NFE2L2
SCHEMBL8446355 0.87 SIGMAR1 (0.66) SIGMAR1TMEM97DHODHKEAP1NFE2L2
SCHEMBL8443689 0.84 SIGMAR1 (0.62) SIGMAR1TMEM97DHODHKEAP1NFE2L2
SCHEMBL953780 0.84 SIGMAR1 (0.83) SIGMAR1TMEM97DHODH
SCHEMBL958221 0.84 SIGMAR1 (0.83) SIGMAR1TMEM97DHODH

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394797-B2 Substituted pyrazole sigma receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-03-12 US disclosed
US-8394797-B2 Substituted pyrazole sigma receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-03-12 US disclosed
US-8394797-B2 Substituted pyrazole sigma receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-03-12 US disclosed
EP-2468728-A1 2-(1-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-YL)ethylamine derivatives useful as sigma receptor inhibitors Laboratorios Del. Dr. Esteve, S.A. (ES) 2012-06-27 EP disclosed
EP-2468728-A1 2-(1-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-YL)ethylamine derivatives useful as sigma receptor inhibitors Laboratorios Del. Dr. Esteve, S.A. (ES) 2012-06-27 EP disclosed
WO-2012072791-A2 2-(1-PHENYL-4,5,6,7-TETRAHYDRO-1H-INDAZOL-4-YL)ETHYLAMINE DERIVATIVES USEFUL AS SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-06-07 WO disclosed
EP-1781619-B1 SIGMA RECEPTOR INHIBITORS ESTEVE LABOR DR (ES) 2011-08-17 EP disclosed
EP-1781619-B1 SIGMA RECEPTOR INHIBITORS ESTEVE LABOR DR (ES) 2011-08-17 EP disclosed
US-20110015183-A1 SUBSTITUTED PYRAZOLE SIGMA RECEPTOR ANTAGONISTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-01-20 US disclosed
US-20110015183-A1 SUBSTITUTED PYRAZOLE SIGMA RECEPTOR ANTAGONISTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-01-20 US disclosed
US-7282499-B2 Sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-10-16 US disclosed
US-7282499-B2 Sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-10-16 US disclosed
US-20070232585-A1 Sigma Receptor Inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-10-04 US disclosed
US-20070232585-A1 Sigma Receptor Inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-10-04 US disclosed
US-20070232585-A1 Sigma Receptor Inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-10-04 US disclosed
EP-1781619-A1 SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-09 EP disclosed
EP-1634873-A1 Sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-03-15 EP disclosed
US-20060047127-A1 Sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-03-02 US disclosed
WO-2006021463-A1 SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-03-02 WO disclosed
WO-2006021463-A1 SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-03-02 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 (3 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-20110015183-A1 SUBSTITUTED PYRAZOLE SIGMA RECEPTOR ANTAGONISTS SIGMAR1, OPRK1, OPRD1 SIGMAR1 1/4885TMEM97 4/4885DHODH 2762/4885
US-20070232585-A1 Sigma Receptor Inhibitors SIGMAR1, OPRK1, OPRL1 SIGMAR1 1/4885TMEM97 5/4885DHODH 2700/4885
US-20060047127-A1 Sigma receptor inhibitors SIGMAR1, OPRK1, OPRL1 SIGMAR1 1/4885TMEM97 4/4885DHODH 3191/4885

“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.