SCHEMBL954470

SCHEMBL954470

C(CN1CCOCC1)=C1CCCc2c1cnn2-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.51
TMEM97 Q5BJF2 1/20 0.51
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
THRB P10828 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 4/20 0.39
HPGD P15428 2/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
CA9 Q16790 2/20 0.38
RAB9A P51151 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP2C19 P33261 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
HSP90AA1 P07900 1/20 0.37

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
SCHEMBL954469 1.00 SIGMAR1 (0.51) SIGMAR1TMEM97ALDH1A1SMN1; SMN2LMNA
SCHEMBL957532 1.00 SIGMAR1 (0.51) SIGMAR1TMEM97ALDH1A1SMN1; SMN2LMNA
Oxalic Acid SCHEMBL954037 0.95 SIGMAR1 (0.47) SIGMAR1TMEM97ALDH1A1SMN1; SMN2LMNA
Oxalic Acid SCHEMBL954036 0.95 SIGMAR1 (0.47) SIGMAR1TMEM97ALDH1A1SMN1; SMN2LMNA
SCHEMBL958033 0.91 CA1 (0.42) SIGMAR1TMEM97ALDH1A1SMN1; SMN2LMNA
SCHEMBL958031 0.91 CA1 (0.42) SIGMAR1TMEM97ALDH1A1SMN1; SMN2LMNA
SCHEMBL953452 0.91 CA1 (0.42) SIGMAR1TMEM97ALDH1A1SMN1; SMN2LMNA
SCHEMBL953451 0.91 CA1 (0.42) SIGMAR1TMEM97ALDH1A1SMN1; SMN2LMNA
SCHEMBL958032 0.91 CA1 (0.42) SIGMAR1TMEM97ALDH1A1SMN1; SMN2LMNA
SCHEMBL953449 0.91 CA1 (0.42) SIGMAR1TMEM97ALDH1A1SMN1; SMN2LMNA

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 22 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-1781619-A1 SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-09 EP 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
WO-2006021463-A1 SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-03-02 WO 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-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-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
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

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 5/4885ALDH1A1 1180/4885
US-20120302568-A1 SIGMA LIGANDS FOR USE IN THE PREVENTION AND/OR TREATMENT OF POST-OPERATIVE PAIN OPRL1, OPRK1, SIGMAR1 SIGMAR1 3/4885TMEM97 6/4885ALDH1A1 1524/4885
US-20060047127-A1 Sigma receptor inhibitors SIGMAR1, OPRK1, OPRL1 SIGMAR1 1/4885TMEM97 4/4885ALDH1A1 2171/4885

“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.