SCHEMBL4226446

SCHEMBL4226446

CN(C)C(c1cccc(F)c1)C1CCC(=Cc2nc(-c3ccc(OC(F)(F)F)cc3)no2)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.38
SCN10A Q9Y5Y9 1/20 0.36
OPRM1 P35372 1/20 0.36
DPP7 Q9UHL4 1/20 0.34
S1PR1 P21453 2/20 0.33
CASP3 P42574 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
PLAT P00750 1/20 0.32
IDH1 O75874 1/20 0.32
PDE2A O00408 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
LIPE Q05469 1/20 0.31
HIF1A Q16665 1/20 0.31
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL4217197 0.91 S1PR1 (0.39) DPP4SCN10ADPP7S1PR1CASP3
SCHEMBL4233634 0.90 DPP4 (0.39) DPP4SCN10ADPP7S1PR1CASP3
SCHEMBL4219341 0.89 RAB9A (0.39) CASP3HDAC1HDAC6SENP8SENP7
SCHEMBL4227027 0.89 CASP3 (0.39) CASP3SENP8SENP7
SCHEMBL4229344 0.88 NPC1 (0.34) CASP3HDAC1HDAC6SENP8SENP7
SCHEMBL4226963 0.87 DPP4 (0.39) DPP4SCN10AOPRM1DPP7S1PR1
SCHEMBL4226968 0.87 DPP4 (0.39) DPP4SCN10AOPRM1DPP7S1PR1
SCHEMBL4226967 0.87 DPP4 (0.39) DPP4SCN10AOPRM1DPP7S1PR1
SCHEMBL4224763 0.86 TP53 (0.38) S1PR1
SCHEMBL4227522 0.85 CASP3 (0.39) DPP4SCN10ADPP7S1PR1CASP3

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 10 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
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 DPP4 4452/4885SCN10A 2110/4885OPRM1 1/4885

“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.