SCHEMBL4226729

SCHEMBL4226729

CC(C)(C)OC(=O)N1CCCC(c2noc(-c3ccccn3)n2)C1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 5/20 0.56
GRM5 P41594 2/20 0.47
HSD11B1 P28845 1/20 0.47
HPGDS O60760 2/20 0.46
GPR119 Q8TDV5 2/20 0.45
PRMT5 O14744 2/20 0.43
HDAC4 P56524 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TRPV3 Q8NET8 1/20 0.41
MMP13 P45452 1/20 0.41

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
SCHEMBL4226723 1.00 USP30 (0.56) USP30GRM5HSD11B1HPGDSGPR119
SCHEMBL4226659 0.86 HSD11B1 (0.62) USP30HSD11B1HPGDSGPR119PRMT5
SCHEMBL4227292 0.85 USP30 (0.49) USP30HSD11B1HPGDSGPR119PRMT5
SCHEMBL4227295 0.85 USP30 (0.49) USP30HSD11B1HPGDSGPR119PRMT5
SCHEMBL4221520 0.83 USP30 (0.58) USP30HSD11B1HPGDSGPR119HDAC4
SCHEMBL193071 0.83 GRM5 (0.69) GRM5HSD11B1
SCHEMBL193072 0.83 GRM5 (0.69) GRM5HSD11B1
SCHEMBL4226960 0.83 USP30 (0.52) USP30HSD11B1HPGDSHDAC4HDAC6
SCHEMBL4223109 0.83 USP30 (0.52) USP30HSD11B1HPGDSGPR119PRMT5
SCHEMBL1970111 0.81 USP30 (0.50) USP30HSD11B1HPGDSGPR119PRMT5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215822-A1 Substituted Oxadiazole Derivatives as Positive Allosteric Modulators of Metabotropic Glutamate Receptors NIKEM RESEARCH SRL (IT) 2009-08-27 US disclosed
EP-1893606-A2 SUBSTITUTED OXADIAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma SA (CH) 2008-03-05 EP disclosed
WO-2006123255-A2 SUBSTITUTED OXADIAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2006-11-23 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-20090215822-A1 Substituted Oxadiazole Derivatives as Positive Allosteric Modulators of Metabotropic Glutamate Receptors GRM5, GRM3, GRM2 USP30 1767/4885GRM5 1/4885HSD11B1 3080/4885

“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.