SCHEMBL4223486

SCHEMBL4223486

CN(C)C(c1ccc(F)cc1)C1CCC(=Cc2nc(-c3cccc(Cl)c3)no2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
LMNA P02545 2/20 0.42
RAB9A P51151 2/20 0.42
GRM5 P41594 10/20 0.41
KCNH2 Q12809 1/20 0.40
IDH1 O75874 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
TSHR P16473 1/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35

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
SCHEMBL4222139 0.94 NPC1 (0.44) NPC1LMNARAB9AGRM5IDH1
SCHEMBL4216828 0.92 LMNA (0.42) NPC1LMNARAB9AGRM5KCNH2
SCHEMBL4226589 0.92 RAB9A (0.44) NPC1LMNARAB9AGRM5IDH1
SCHEMBL4227757 0.89 CASP3 (0.37) NPC1LMNARAB9AGRM5SMN1; SMN2
SCHEMBL4223126 0.89 CASP3 (0.46) NPC1LMNARAB9AGRM5SMN1; SMN2
SCHEMBL27876827 0.87 NPC1 (0.42) NPC1LMNARAB9AGRM5KCNH2
SCHEMBL4214640 0.86 RAB9A (0.43) NPC1LMNARAB9AGRM5SMN1; SMN2
SCHEMBL4217190 0.85 NPC1 (0.42) NPC1LMNARAB9AGRM5KCNH2
SCHEMBL4217182 0.85 NPC1 (0.42) NPC1LMNARAB9AGRM5KCNH2
SCHEMBL4217187 0.85 NPC1 (0.42) NPC1LMNARAB9AGRM5KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963289-B1 SUBSTITUTED OXADIAZOLE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS GRUENENTHAL GMBH (DE) 2013-05-15 EP claimed
US-7589113-B2 Substituted oxadiazole compounds and their use as opioid receptor ligands GRUENENTHAL GMBH (DE) 2009-09-15 US claimed
US-20090005427-A1 SUBSTITUTED OXADIAZOLE COMPOUNDS AND THEIR USE AS OPIOID RECEPTOR LIGANDS GRUENENTHAL GMBH (DE) 2009-01-01 US claimed
EP-1963289-A1 SUBSTITUTED OXADIAZOLE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2008-09-03 EP claimed
WO-2007079931-A1 SUBSTITUTED OXADIAZOLE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2007-07-19 WO claimed
EP-1963289-B1 SUBSTITUTED OXADIAZOLE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS GRUENENTHAL GMBH (DE) 2013-05-15 EP disclosed
US-7589113-B2 Substituted oxadiazole compounds and their use as opioid receptor ligands GRUENENTHAL GMBH (DE) 2009-09-15 US disclosed
CN-101384565-A Substituted oxadiazole derivatives and their use as opioid receptor ligands GRUENENTHAL GMBH (DE) 2009-03-11 CN disclosed
US-20090005427-A1 SUBSTITUTED OXADIAZOLE COMPOUNDS AND THEIR USE AS OPIOID RECEPTOR LIGANDS GRUENENTHAL GMBH (DE) 2009-01-01 US disclosed
EP-1963289-A1 SUBSTITUTED OXADIAZOLE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2008-09-03 EP disclosed
WO-2007079931-A1 SUBSTITUTED OXADIAZOLE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2007-07-19 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 (1 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-20090005427-A1 SUBSTITUTED OXADIAZOLE COMPOUNDS AND THEIR USE AS OPIOID RECEPTOR LIGANDS OPRM1, OPRD1, OPRK1 NPC1 2737/4885LMNA 4052/4885RAB9A 4288/4885

“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.