SCHEMBL4138845

SCHEMBL4138845

CC(C)(C)OC(=O)N1CCCC1Cc1nc(-c2ccc(F)cc2)no1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 6/20 0.49
GPR119 Q8TDV5 3/20 0.49
GRM5 P41594 2/20 0.49
HDAC4 P56524 4/20 0.45
HDAC6 Q9UBN7 2/20 0.45
SPHK2 Q9NRA0 5/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
CLPP Q16740 1/20 0.43
HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL29070 0.90 GPR119 (0.51) SPHK1GPR119SPHK2
SCHEMBL29071 0.90 GPR119 (0.51) SPHK1GPR119SPHK2
SCHEMBL25170389 0.84 SPHK1 (0.48) SPHK1GPR119HDAC4HDAC6SPHK2
SCHEMBL29308060 0.84 SPHK1 (0.48) SPHK1GPR119HDAC4HDAC6SPHK2
SCHEMBL4152457 0.84 GRM5 (0.55) SPHK1GRM5SPHK2SIRT2CLPP
SCHEMBL25171095 0.81 SPHK2 (0.58) SPHK1GPR119SPHK2
SCHEMBL25176627 0.80 SPHK2 (0.72) SPHK1GPR119SPHK2
SCHEMBL25174342 0.80 SPHK2 (0.63) SPHK1HDAC4HDAC6SPHK2
SCHEMBL25171154 0.79 SPHK2 (0.60) SPHK1GPR119SPHK2
SCHEMBL25177129 0.79 SPHK2 (0.75) SPHK1SPHK2

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-20090197897-A1 Novel Oxadiazole Derivatives and Their Use as Positive Allosteric Modulators of Metabotropic Glutamate Receptors ADDEX PHARMA SA (CH) 2009-08-06 US disclosed
EP-1896463-A2 NOVEL OXADIAZOLE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2008-03-12 EP disclosed
WO-2006123249-A2 NOVEL OXADIAZOLE DERIVATIVES AND THEIR USE 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-20090197897-A1 Novel Oxadiazole Derivatives and Their Use as Positive Allosteric Modulators of Metabotropic Glutamate Receptors GRM5, GRM2, GRM3 SPHK1 2380/4885GPR119 76/4885GRM5 1/4885

“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.