SCHEMBL1356458

SCHEMBL1356458

CCN(CC)CCNc1ccn(-c2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 13/20 0.59
ABL1 P00519 1/20 0.47
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KCNH2 Q12809 1/20 0.39
NOTUM Q6P988 3/20 0.38
FGFR1 P11362 1/20 0.38
SRC P12931 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
SCHEMBL1355904 0.92 SIGMAR1 (0.64) SIGMAR1ABL1KDM4EHTTFGFR1
SCHEMBL12406900 0.80 SIGMAR1 (0.65) SIGMAR1ABL1KCNH2NOTUM
SCHEMBL1356714 0.79 SIGMAR1 (0.61) SIGMAR1KDM4ELMNAHTTHSD17B10
SCHEMBL1356745 0.79 KDM4E (0.44) SIGMAR1KDM4ELMNAHTTHSD17B10
SCHEMBL1356872 0.78 ABL1 (0.60) SIGMAR1ABL1KDM4EHTTKCNH2
SCHEMBL1356874 0.78 SIGMAR1 (0.60) SIGMAR1ABL1KCNH2NOTUM
SCHEMBL1356743 0.77 ABL1 (0.65) SIGMAR1ABL1KDM4ELMNAHTT
SCHEMBL466979 0.76 SIGMAR1 (0.88) SIGMAR1KCNH2
SCHEMBL4655517 0.76 SIGMAR1 (0.58) SIGMAR1ABL1KDM4EKCNH2
SCHEMBL1357481 0.76 SIGMAR1 (0.80) SIGMAR1ABL1KCNH2

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 23 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
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
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 SIGMAR1 1/4885ABL1 452/4885KDM4E 3767/4885
US-20110281848-A1 IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR SIGMAR1, TMEM97, OPRK1 SIGMAR1 1/4885ABL1 452/4885KDM4E 3767/4885

“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.