SCHEMBL954463

SCHEMBL954463

Clc1ccc(-n2ncc3c2CCCC3CCN2CCN(c3ccccc3)CC2)cc1Cl

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.66
TMEM97 Q5BJF2 1/20 0.66
DRD2 P14416 3/20 0.44
HTR1A P08908 2/20 0.44
HTR2A P28223 1/20 0.44
HTR7 P34969 1/20 0.44
HTR6 P50406 1/20 0.44
ADRA1A P35348 1/20 0.42
MAPT P10636 1/20 0.41
DRD4 P21917 2/20 0.41

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
Oxalic Acid SCHEMBL954356 0.96 SIGMAR1 (0.61) SIGMAR1TMEM97DRD2HTR1AHTR2A
SCHEMBL957538 0.89 SIGMAR1 (0.82) SIGMAR1TMEM97DRD2HTR1AHTR2A
SCHEMBL955968 0.88 SIGMAR1 (0.66) SIGMAR1TMEM97DRD2HTR1AHTR2A
SCHEMBL956461 0.87 SIGMAR1 (0.73) SIGMAR1TMEM97
Oxalic Acid SCHEMBL957759 0.84 SIGMAR1 (0.68) SIGMAR1TMEM97
Oxalic Acid SCHEMBL958364 0.84 SIGMAR1 (0.74) SIGMAR1TMEM97DRD2HTR1AADRA1A
Oxalic Acid SCHEMBL957708 0.84 SIGMAR1 (0.61) SIGMAR1TMEM97MAPT
SCHEMBL955058 0.83 SIGMAR1 (0.71) SIGMAR1TMEM97DRD2HTR1AADRA1A
SCHEMBL953780 0.81 SIGMAR1 (0.83) SIGMAR1TMEM97DRD2HTR1AHTR2A
SCHEMBL958221 0.81 SIGMAR1 (0.83) SIGMAR1TMEM97DRD2HTR1AHTR2A

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 28 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 claimed
EP-1781619-B1 SIGMA RECEPTOR INHIBITORS ESTEVE LABOR DR (ES) 2011-08-17 EP claimed
US-7282499-B2 Sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-10-16 US claimed
US-20070232585-A1 Sigma Receptor Inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-10-04 US claimed
EP-1634873-A1 Sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-03-15 EP claimed
US-20060047127-A1 Sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-03-02 US claimed
US-9844516-B2 Sigma ligands for use in the prevention and/or treatment of post-operative pain Laboratorios De Dr. Esteve (ES) 2017-12-19 US disclosed
EP-2531191-B1 Sigma ligands for use in the prevention and/or treatment of postoperative pain ESTEVE LABOR DR (ES) 2016-03-30 EP disclosed
US-8394797-B2 Substituted pyrazole sigma receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-03-12 US disclosed
US-20120302568-A1 SIGMA LIGANDS FOR USE IN THE PREVENTION AND/OR TREATMENT OF POST-OPERATIVE PAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-11-29 US 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
EP-2292237-A1 Sigma ligands for the prevention or treatment of pain induced by chemotherapy Laboratorios Del. Dr. Esteve, S.A. (ES) 2011-03-09 EP 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-20070232585-A1 Sigma Receptor Inhibitors SIGMAR1, OPRK1, OPRL1 SIGMAR1 1/4885TMEM97 5/4885DRD2 157/4885
US-20120302568-A1 SIGMA LIGANDS FOR USE IN THE PREVENTION AND/OR TREATMENT OF POST-OPERATIVE PAIN OPRL1, OPRK1, SIGMAR1 SIGMAR1 3/4885TMEM97 6/4885DRD2 388/4885
US-20060047127-A1 Sigma receptor inhibitors SIGMAR1, OPRK1, OPRL1 SIGMAR1 1/4885TMEM97 4/4885DRD2 82/4885

“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.