SCHEMBL4136756

SCHEMBL4136756

CC(C)(C)OC(=O)N1CCC=C(c2nc(-c3ccc(F)cc3)no2)C1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 5/20 0.51
HDAC6 Q9UBN7 6/20 0.47
GPR119 Q8TDV5 5/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
TACR3 P29371 1/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
GRM5 P41594 2/20 0.40
GRM1 Q13255 1/20 0.40
CLPP Q16740 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39

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
SCHEMBL4130408 0.83 TACR3 (0.61) HDAC4HDAC6MEN1ALDH1A1LMNA
SCHEMBL9724704 0.81 CHRM2 (0.43) GPR119CHRM2CHRM4CHRM5CHRM1
SCHEMBL9724813 0.79 CHRM2 (0.41) GPR119CHRM2CHRM4CHRM5CHRM1
SCHEMBL10517068 0.79 RORC (0.41) HDAC4GPR119CHRM2CHRM4CHRM5
SCHEMBL9724751 0.78 CHRM2 (0.41) GPR119CHRM2CHRM4CHRM5CHRM1
SCHEMBL9724785 0.77 CHRM2 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10518298 0.77 CHRM2 (0.40) GPR119GRM5GRM1CHRM2CHRM4
SCHEMBL1240331 0.77 GRM5 (0.53) MEN1ALDH1A1KMT2AHDAC1GRM5
SCHEMBL9777881 0.76 HTR6 (0.39) HDAC4HDAC6ALDH1A1HDAC1CHRM2
SCHEMBL10517530 0.75 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3

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 HDAC4 2059/4885HDAC6 1527/4885GPR119 76/4885

“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.