SCHEMBL4222275

SCHEMBL4222275

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
CASP3 P42574 6/20 0.36
SENP8 Q96LD8 5/20 0.36
SENP7 Q9BQF6 5/20 0.36
SENP6 Q9GZR1 4/20 0.36
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GRM5 P41594 2/20 0.35
MAPT P10636 5/20 0.34
ALDH1A1 P00352 2/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
LMNA P02545 3/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ADRB2 P07550 1/20 0.32
HPGD P15428 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
SCHEMBL4222272 1.00 KMT2A (0.41) KMT2ACASP3SENP8SENP7SENP6
SCHEMBL4222278 1.00 KMT2A (0.41) KMT2ACASP3SENP8SENP7SENP6
SCHEMBL4227548 0.92 LMNA (0.41) KMT2ACASP3SENP8SENP7SENP6
SCHEMBL4227546 0.92 LMNA (0.41) KMT2ACASP3SENP8SENP7SENP6
SCHEMBL4227549 0.92 LMNA (0.41) KMT2ACASP3SENP8SENP7SENP6
SCHEMBL4216962 0.92 RAB9A (0.41) KMT2ACASP3SENP8SENP7SENP6
SCHEMBL4216954 0.92 RAB9A (0.41) KMT2ACASP3SENP8SENP7SENP6
SCHEMBL4216958 0.92 RAB9A (0.41) KMT2ACASP3SENP8SENP7SENP6
SCHEMBL4216987 0.92 CASP3 (0.43) KMT2ACASP3SENP8SENP7SENP6
SCHEMBL4216981 0.92 CASP3 (0.43) KMT2ACASP3SENP8SENP7SENP6

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 KMT2A 2784/4885CASP3 3996/4885SENP8 4841/4885

“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.