SCHEMBL4223126

SCHEMBL4223126

CN(C)C(c1ccc(F)cc1)C1CCC(=Cc2nc(-c3ccccc3)no2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.46
SENP8 Q96LD8 3/20 0.46
SENP7 Q9BQF6 3/20 0.46
SENP6 Q9GZR1 2/20 0.46
NPC1 O15118 5/20 0.42
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 4/20 0.36
THRB P10828 1/20 0.36
GRM5 P41594 2/20 0.34
CNR2 P34972 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
SLC6A3 Q01959 1/20 0.33
MAPK1 P28482 2/20 0.32
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL4226837 0.93 RAB9A (0.40) CASP3SENP8SENP7SENP6NPC1
SCHEMBL4223050 0.91 MAPT (0.38) CASP3SENP8SENP7SENP6NPC1
SCHEMBL4227757 0.90 CASP3 (0.37) CASP3SENP8SENP7SENP6NPC1
SCHEMBL4227027 0.89 CASP3 (0.39) CASP3SENP8SENP7SENP6NPC1
SCHEMBL4223486 0.89 NPC1 (0.42) CASP3SENP8SENP7SENP6NPC1
SCHEMBL4223430 0.89 NPC1 (0.36) CASP3SENP8SENP7SENP6NPC1
SCHEMBL4233634 0.87 DPP4 (0.39) CASP3SENP8SENP7SENP6GRM5
SCHEMBL4219478 0.85 KMT2A (0.40) NPC1RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL4214852 0.85 KMT2A (0.40) NPC1RAB9ASMN1; SMN2L3MBTL1MAPT
SCHEMBL4216716 0.84 NPC1 (0.36) CASP3SENP8SENP7NPC1RAB9A

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
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

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 CASP3 3996/4885SENP8 4841/4885SENP7 4809/4885

“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.