SCHEMBL1968663

SCHEMBL1968663

CC(C)(C)OC(=O)N1CCCC(c2noc(-c3cc4ccccc4[nH]3)n2)C1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.51
HPGDS O60760 2/20 0.47
VCP P55072 2/20 0.46
PRMT5 O14744 2/20 0.45
HSD11B1 P28845 2/20 0.45
PARP1 P09874 2/20 0.44
CYP2C9 P11712 1/20 0.41
TBK1 Q9UHD2 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
CHEK2 O96017 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PDE4B Q07343 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
SCHEMBL1973393 0.85 HPGDS (0.50) HPGDSPRMT5HSD11B1CYP2C9
SCHEMBL1973392 0.85 HPGDS (0.50) HPGDSPRMT5HSD11B1CYP2C9
SCHEMBL1970602 0.83 USP30 (0.50) USP30HPGDSPRMT5HSD11B1PARP1
SCHEMBL1970599 0.83 USP30 (0.50) USP30HPGDSPRMT5HSD11B1PARP1
SCHEMBL4226659 0.83 HSD11B1 (0.62) USP30HPGDSPRMT5HSD11B1HDAC4
SCHEMBL1969566 0.81 USP30 (0.50) USP30HPGDSHSD11B1PARP1CYP2C9
SCHEMBL1971418 0.81 USP30 (0.47) USP30HPGDSPRMT5HSD11B1PARP1
SCHEMBL1971421 0.81 USP30 (0.47) USP30HPGDSPRMT5HSD11B1PARP1
SCHEMBL1970344 0.80 GRM5 (0.54) HSD11B1
SCHEMBL1968064 0.80 HSD11B1 (0.53) HSD11B1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912979-B1 PHENYL-{3-(3-(1H-PYRROL-2-YL)-[1,2,4]OXADIAZOL-5-YL]PIPERIDIN-1-YL}-METHANONE DERIVATIVES AND RELATED COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2011-06-22 EP disclosed
US-20090203737-A1 Pyrrole Derivatives as Positive Allosteric Modulators of Metabotropic Receptors ADDEX PHARMA SA (CH) 2009-08-13 US disclosed
EP-1912979-A2 PHENYL-3-{(3-(1H-PYRROL-2-YL)-[1,2,4]OXADIAZOL-5-YL]PIPERIDIN-1-YL}-METHANONE DERIVATIVES AND RELATED COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2008-04-23 EP disclosed
WO-2006123257-A2 PHENYL-3-{(3-(1H-PYRROL-2-YL)-[1, 2 , 4]0XADIAZ0L-5-YL]PIPERIDIN-1-YL}-METHANONE DERIVATIVES AND RELATED COMPOUNDS 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-20090203737-A1 Pyrrole Derivatives as Positive Allosteric Modulators of Metabotropic Receptors GRM5, GRIK5, GRM2 USP30 1953/4885HPGDS 2038/4885VCP 2833/4885

“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.