SCHEMBL239148

SCHEMBL239148

Cc1nc(SCC[N+]2(OC(=O)C(=O)O[N+]3(CCSc4nc(C)n(-c5ccccc5)n4)CCOCC3)CCOCC2)nn1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
ALDH1A1 P00352 3/20 0.34
HRH1 P35367 1/20 0.34
CFTR P13569 4/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL239340 0.90 KMT2A (0.42) LMNAALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL238702 0.90 ALDH1A1 (0.40) LMNAALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL239543 0.80 SMN1; SMN2 (0.36) LMNAALDH1A1HRH1HTTSMN1; SMN2
SCHEMBL14058350 0.79 KMT2A (0.34) LMNAALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL235580 0.76 CNR1 (0.36)
Oxalic Acid SCHEMBL239147 0.75 KDM4E (0.54) ALDH1A1HTTRAB9ASMN1; SMN2L3MBTL1
Oxalic Acid SCHEMBL239149 0.75 KDM4E (0.54) ALDH1A1HTTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL238327 0.74 SIGMAR1 (0.38)
SCHEMBL238772 0.73 RXFP1 (0.51) LMNAALDH1A1HTTRAB9ASMN1; SMN2
Oxalic Acid SCHEMBL238703 0.67 KDM4E (0.66) ALDH1A1HTTSMN1; SMN2L3MBTL1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2097394-B1 1,2,4-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS ESTEVE LABOR DR (ES) 2013-12-25 EP claimed
US-8349878-B2 1,2,4-triazole derivatives as sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-01-08 US claimed
US-20120004211-A1 1,2,4-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-01-05 US claimed
US-8039497-B2 1,2,4-triazole derivatives as sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-10-18 US claimed
US-20100004224-A1 1,2,4-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-01-07 US claimed
EP-2097394-A1 1,2,4-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-09-09 EP claimed
WO-2008055932-A1 1,2,4-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-05-15 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
EP-2097394-B1 1,2,4-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS ESTEVE LABOR DR (ES) 2013-12-25 EP disclosed
US-8349878-B2 1,2,4-triazole derivatives as sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-01-08 US disclosed
EP-2531191-A1 SIGMA LIGANDS FOR USE IN THE PREVENTION AND/OR TREATMENT OF POSTOPERATIVE PAIN Laboratorios Del. Dr. Esteve, S.A. (ES) 2012-12-12 EP 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
US-20120004211-A1 1,2,4-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-01-05 US disclosed
US-8039497-B2 1,2,4-triazole derivatives as sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-10-18 US disclosed
WO-2011095584-A1 SIGMA LIGANDS FOR USE IN THE PREVENTION AND/OR TREATMENT OF POSTOPERATIVE PAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-08-11 WO disclosed
EP-2353598-A1 Sigma ligands for use in the prevention and/or treatment of postoperative pain Laboratorios Del. Dr. Esteve, S.A. (ES) 2011-08-10 EP disclosed
US-20100004224-A1 1,2,4-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-01-07 US disclosed
EP-2097394-A1 1,2,4-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-09-09 EP disclosed
WO-2008055932-A1 1,2,4-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-05-15 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-20120302568-A1 SIGMA LIGANDS FOR USE IN THE PREVENTION AND/OR TREATMENT OF POST-OPERATIVE PAIN OPRL1, OPRK1, SIGMAR1 LMNA 3709/4885ALDH1A1 1524/4885HRH1 80/4885
US-20100004224-A1 1,2,4-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS SIGMAR1, TMEM97, OPRK1 LMNA 4239/4885ALDH1A1 704/4885HRH1 151/4885
US-20120004211-A1 1,2,4-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS SIGMAR1, TMEM97, OPRK1 LMNA 4083/4885ALDH1A1 705/4885HRH1 142/4885

“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.