SCHEMBL4096740

SCHEMBL4096740

CC(C)(C)OC(=O)N1CCC[C@H](c2noc(-c3cc(C#N)c[nH]3)n2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.45
HPGDS O60760 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
HSD11B1 P28845 1/20 0.39
TBK1 Q9UHD2 1/20 0.38
HDAC4 P56524 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
RECQL P46063 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
PARP1 P09874 1/20 0.37

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
SCHEMBL4096746 1.00 USP30 (0.45) USP30HPGDSALDH1A1MEN1MAPT
SCHEMBL1971421 0.87 USP30 (0.47) USP30HPGDSALDH1A1JAK2JAK1
SCHEMBL1971418 0.87 USP30 (0.47) USP30HPGDSALDH1A1JAK2JAK1
SCHEMBL1974561 0.86 USP30 (0.47) USP30HPGDSALDH1A1MEN1KMT2A
SCHEMBL1970082 0.86 USP30 (0.47) USP30HPGDSALDH1A1JAK2JAK1
SCHEMBL1970085 0.86 USP30 (0.47) USP30HPGDSALDH1A1JAK2JAK1
SCHEMBL1974558 0.86 USP30 (0.47) USP30HPGDSALDH1A1MEN1KMT2A
SCHEMBL5131505 0.86 HSD11B1 (0.42) USP30HSD11B1
SCHEMBL1969186 0.85 USP30 (0.46) USP30HPGDSALDH1A1MAPTJAK2
SCHEMBL1969188 0.85 USP30 (0.46) USP30HPGDSALDH1A1MAPTJAK2

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-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 2038/4885ALDH1A1 4261/4885

“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.