SCHEMBL4226837

SCHEMBL4226837

CN(C)C(c1ccccc1)C1CCC(=Cc2nc(-c3ccccc3)no2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.40
NPC1 O15118 6/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CASP3 P42574 3/20 0.37
SENP8 Q96LD8 3/20 0.37
SENP7 Q9BQF6 3/20 0.37
SENP6 Q9GZR1 2/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C19 P33261 1/20 0.37
NR1H4 Q96RI1 1/20 0.35
NPSR1 Q6W5P4 3/20 0.34
ALDH1A1 P00352 2/20 0.34
S1PR1 P21453 2/20 0.34
KMT2A Q03164 1/20 0.34
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33

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
SCHEMBL4223126 0.93 CASP3 (0.46) RAB9ANPC1SMN1; SMN2TDP1L3MBTL1
SCHEMBL4230111 0.91 CASP3 (0.49) RAB9ANPC1SMN1; SMN2TDP1L3MBTL1
SCHEMBL4216716 0.91 NPC1 (0.36) RAB9ANPC1SMN1; SMN2TDP1L3MBTL1
SCHEMBL4227027 0.90 CASP3 (0.39) RAB9ANPC1SMN1; SMN2TDP1L3MBTL1
SCHEMBL4226589 0.90 RAB9A (0.44) RAB9ANPC1SMN1; SMN2L3MBTL1CASP3
SCHEMBL4217197 0.88 S1PR1 (0.39) RAB9ANPC1SMN1; SMN2TDP1CASP3
SCHEMBL4232250 0.87 KDM4E (0.43) RAB9ANPC1SMN1; SMN2TDP1L3MBTL1
SCHEMBL4214852 0.87 KMT2A (0.40) RAB9ANPC1SMN1; SMN2L3MBTL1MAPT
SCHEMBL4222139 0.84 NPC1 (0.44) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL4222179 0.84 SENP7 (0.34) SENP7

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 6 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-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 RAB9A 4288/4885NPC1 2737/4885SMN1; SMN2 1917/4885

“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.