Sugi Predict

Sugi Predict / Compounds / SCHEMBL1970082

SCHEMBL1970082

SCHEMBL1970082

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 2/20 0.47
▸ HPGDS O60760 2/20 0.41
▸ HDAC4 P56524 2/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.41
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ TRPV3 Q8NET8 1/20 0.40
▸ HSD11B1 P28845 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ ALOX5AP P20292 1/20 0.38
▸ FEN1 P39748 1/20 0.38
▸ TBK1 Q9UHD2 1/20 0.38
▸ BRD3 Q15059 1/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ PRMT5 O14744 1/20 0.36

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
SCHEMBL1970085 1.00 USP30 (0.47) USP30HPGDSHDAC4HDAC6JAK2
SCHEMBL1971418 0.90 USP30 (0.47) USP30HPGDSHDAC4HDAC6JAK2
SCHEMBL1971421 0.90 USP30 (0.47) USP30HPGDSHDAC4HDAC6JAK2
SCHEMBL1971801 0.89 USP30 (0.46) USP30HPGDSHDAC4HDAC6JAK2
SCHEMBL1971800 0.89 USP30 (0.46) USP30HPGDSHDAC4HDAC6JAK2
SCHEMBL1974561 0.89 USP30 (0.47) USP30HPGDSHDAC4HDAC6JAK2
SCHEMBL1974558 0.89 USP30 (0.47) USP30HPGDSHDAC4HDAC6JAK2
SCHEMBL1969186 0.87 USP30 (0.46) USP30HPGDSHDAC4HDAC6JAK2
SCHEMBL1969188 0.87 USP30 (0.46) USP30HPGDSHDAC4HDAC6JAK2
SCHEMBL4096746 0.86 USP30 (0.45) USP30HPGDSHDAC4HDAC6JAK2

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 2038/4885HDAC4 3634/4885

“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.