SCHEMBL4226907

SCHEMBL4226907

CC(C)(C)OC(=O)N1CCCC(c2noc(C3CCCC3)n2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.48
USP30 Q70CQ3 1/20 0.45
HDAC4 P56524 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
CPT1A P50416 2/20 0.42
HPGDS O60760 1/20 0.42
GRM5 P41594 1/20 0.42
CPT2 P23786 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
RECQL P46063 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TRPV3 Q8NET8 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
SCHEMBL14683644 0.92 USP30 (0.49) HSD11B1USP30HDAC4HDAC6MAPT
SCHEMBL13678714 0.87 HDAC4 (0.46) HSD11B1USP30HDAC4HDAC6ALDH1A1
SCHEMBL10163212 0.84 HSD11B1 (0.49) HSD11B1HDAC4HDAC6ALDH1A1MEN1
SCHEMBL12506046 0.84 MAPT (0.46) USP30MAPTHPGDKDM4ERECQL
SCHEMBL3145726 0.83 HDAC4 (0.43) HSD11B1HDAC4HDAC6ALDH1A1MEN1
SCHEMBL3145734 0.83 HDAC4 (0.43) HSD11B1HDAC4HDAC6ALDH1A1MEN1
SCHEMBL10163273 0.83 HDAC4 (0.43) HSD11B1HDAC4HDAC6ALDH1A1MEN1
SCHEMBL21163830 0.82 CPT1A (0.55) HSD11B1ALDH1A1MEN1MAPTKMT2A
SCHEMBL10163222 0.81 HSD11B1 (0.43) HSD11B1HDAC4HDAC6ALDH1A1MEN1
SCHEMBL2277868 0.81 USP30 (0.50) USP30HDAC4HDAC6MAPTHPGDS

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 HSD11B1 3080/4885USP30 1767/4885HDAC4 2274/4885

“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.