SCHEMBL4226963

SCHEMBL4226963

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.39
SCN10A Q9Y5Y9 1/20 0.35
OPRM1 P35372 1/20 0.35
CASP3 P42574 4/20 0.34
SENP7 Q9BQF6 3/20 0.34
SENP8 Q96LD8 2/20 0.34
PDE2A O00408 2/20 0.33
DPP7 Q9UHL4 1/20 0.33
PLAT P00750 1/20 0.33
S1PR1 P21453 2/20 0.33
SENP6 Q9GZR1 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
IDH1 O75874 1/20 0.31
ABL1 P00519 1/20 0.31

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
SCHEMBL4226967 1.00 DPP4 (0.39) DPP4SCN10AOPRM1CASP3SENP7
SCHEMBL4226968 1.00 DPP4 (0.39) DPP4SCN10AOPRM1CASP3SENP7
SCHEMBL4218538 0.90 DPP4 (0.39) DPP4SCN10ACASP3SENP7SENP8
SCHEMBL4218534 0.90 DPP4 (0.39) DPP4SCN10ACASP3SENP7SENP8
SCHEMBL4216962 0.88 RAB9A (0.41) CASP3SENP7SENP8SENP6
SCHEMBL4216954 0.88 RAB9A (0.41) CASP3SENP7SENP8SENP6
SCHEMBL4216958 0.88 RAB9A (0.41) CASP3SENP7SENP8SENP6
SCHEMBL4216981 0.88 CASP3 (0.43) CASP3SENP7SENP8SENP6
SCHEMBL4216987 0.88 CASP3 (0.43) CASP3SENP7SENP8SENP6
SCHEMBL4216984 0.88 CASP3 (0.43) CASP3SENP7SENP8SENP6

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 8 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
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.