SCHEMBL1356743

SCHEMBL1356743

CCN(CC)CC(=O)Nc1ccn(-c2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.65
SIGMAR1 Q99720 6/20 0.61
POLB P06746 1/20 0.46
MAPT P10636 3/20 0.45
NOTUM Q6P988 1/20 0.44
ELOVL1 Q9BW60 1/20 0.43
CACNA1G O43497 1/20 0.42
CACNA1H O95180 1/20 0.42
CACNA1I Q9P0X4 1/20 0.42
KDM4E B2RXH2 2/20 0.41
KCNH2 Q12809 1/20 0.41
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ENPP2 Q13822 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TRPA1 O75762 1/20 0.39

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
SCHEMBL8473697 0.90 ABL1 (0.53) ABL1SIGMAR1POLBMAPTELOVL1
SCHEMBL1356872 0.87 ABL1 (0.60) ABL1SIGMAR1MAPTNOTUMELOVL1
SCHEMBL1357656 0.83 ABL1 (0.73) ABL1SIGMAR1MAPTNOTUMELOVL1
SCHEMBL24685633 0.82 ABL1 (0.66) ABL1SIGMAR1POLBMAPTNOTUM
SCHEMBL1356884 0.81 SIGMAR1 (0.63) ABL1SIGMAR1POLBMAPTKDM4E
SCHEMBL1357515 0.81 ABL1 (0.58) ABL1SIGMAR1MAPTELOVL1CACNA1G
SCHEMBL1356441 0.81 NPC1 (0.43) ABL1SIGMAR1POLBMAPTCACNA1G
SCHEMBL1356919 0.81 SIGMAR1 (0.52) ABL1SIGMAR1POLBMAPTKCNH2
Oxalic Acid SCHEMBL1356980 0.79 ABL1 (0.56) ABL1SIGMAR1MAPTELOVL1CACNA1G
SCHEMBL25736178 0.77 ABL1 (0.62) ABL1SIGMAR1MAPTNOTUMELOVL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1994008-B1 IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR ESTEVE LABOR DR (ES) 2016-08-10 EP claimed
US-8410159-B2 Imidazole compounds having pharmaceutical activity towards the sigma receptor LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2013-04-02 US claimed
US-20110281848-A1 IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-11-17 US claimed
US-7989485-B2 Imidazole compounds having pharmaceutical activity towards the sigma receptor LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-08-02 US claimed
US-20090137560-A1 IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-05-28 US claimed
EP-1994008-A2 IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR Laboratorios del Dr. Esteve S.A. (ES) 2008-11-26 EP claimed
WO-2007098967-A2 IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR LABORATORIOS DEL DR.ESTEVE, S.A. (ES) 2007-09-07 WO claimed
EP-1829867-A1 Imidazole compounds having pharmaceutical activity towards the sigma receptor LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-09-05 EP claimed
EP-1994008-B1 IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR ESTEVE LABOR DR (ES) 2016-08-10 EP disclosed
EP-1994008-B1 IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR ESTEVE LABOR DR (ES) 2016-08-10 EP disclosed
US-8410159-B2 Imidazole compounds having pharmaceutical activity towards the sigma receptor LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2013-04-02 US disclosed
US-8410159-B2 Imidazole compounds having pharmaceutical activity towards the sigma receptor LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2013-04-02 US disclosed
US-20110281848-A1 IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-11-17 US disclosed
US-20110281848-A1 IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-11-17 US disclosed
US-20090137560-A1 IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-05-28 US disclosed
US-20090137560-A1 IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-05-28 US disclosed
EP-1994008-A2 IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR Laboratorios del Dr. Esteve S.A. (ES) 2008-11-26 EP disclosed
WO-2007098967-A2 IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR LABORATORIOS DEL DR.ESTEVE, S.A. (ES) 2007-09-07 WO disclosed
WO-2007098967-A2 IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR LABORATORIOS DEL DR.ESTEVE, S.A. (ES) 2007-09-07 WO disclosed
EP-1829867-A1 Imidazole compounds having pharmaceutical activity towards the sigma receptor LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-09-05 EP 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-20090137560-A1 IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR SIGMAR1, TMEM97, OPRK1 ABL1 452/4885SIGMAR1 1/4885POLB 2193/4885
US-20110281848-A1 IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR SIGMAR1, TMEM97, OPRK1 ABL1 452/4885SIGMAR1 1/4885POLB 2193/4885

“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.