SCHEMBL955217

SCHEMBL955217

CC1CCN(CCC2CCc3c2cnn3-c2ccccc2)CC1

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.66
TMEM97 Q5BJF2 1/20 0.66
ACHE P22303 2/20 0.43
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38

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 SCHEMBL955960 0.95 SIGMAR1 (0.60) SIGMAR1TMEM97ACHEALDH1A1SMN1; SMN2
Oxalic Acid SCHEMBL3560566 0.95 SIGMAR1 (0.60) SIGMAR1TMEM97ACHEALDH1A1SMN1; SMN2
SCHEMBL956397 0.93 SIGMAR1 (0.77) SIGMAR1TMEM97ACHENPC1ALDH1A1
SCHEMBL956189 0.90 SIGMAR1 (0.75) SIGMAR1TMEM97NPC1ALDH1A1RAB9A
SCHEMBL955127 0.89 SIGMAR1 (0.67) SIGMAR1TMEM97MAPTSMN1; SMN2HTR1A
SCHEMBL956401 0.89 SIGMAR1 (0.73) SIGMAR1TMEM97NPC1ALDH1A1RAB9A
Oxalic Acid SCHEMBL955873 0.88 SIGMAR1 (0.70) SIGMAR1TMEM97ALDH1A1SMN1; SMN2
Oxalic Acid SCHEMBL5184700 0.88 SIGMAR1 (0.70) SIGMAR1TMEM97ALDH1A1SMN1; SMN2
Oxalic Acid SCHEMBL5182351 0.88 SIGMAR1 (0.55) SIGMAR1TMEM97ALDH1A1MAPTSMN1; SMN2
SCHEMBL955208 0.87 SIGMAR1 (0.66) SIGMAR1TMEM97HTR1ADRD2HTR2A

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 claimed
EP-1781619-B1 SIGMA RECEPTOR INHIBITORS ESTEVE LABOR DR (ES) 2011-08-17 EP claimed
US-20070232585-A1 Sigma Receptor Inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-10-04 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-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-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
US-7829559-B2 Substituted pyrazole sigma receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-11-09 US disclosed
US-7829559-B2 Substituted pyrazole sigma receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-11-09 US disclosed
US-7829559-B2 Substituted pyrazole sigma receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-11-09 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
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 (2 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 5/4885ACHE 396/4885
US-20120302568-A1 SIGMA LIGANDS FOR USE IN THE PREVENTION AND/OR TREATMENT OF POST-OPERATIVE PAIN OPRL1, OPRK1, SIGMAR1 SIGMAR1 3/4885TMEM97 6/4885ACHE 125/4885

“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.