Sugi Predict

Sugi Predict / Compounds / SCHEMBL1974358

SCHEMBL1974358

SCHEMBL1974358

CC(C)(C)OC(=O)N1CCC[C@H](c2nc(-c3cc(F)c[nH]3)no2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.48
▸ CLPP Q16740 1/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ POLB P06746 2/20 0.45
▸ MAPK1 P28482 3/20 0.45
▸ MAPT P10636 1/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ ALOX15 P16050 1/20 0.44

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
SCHEMBL1974360 1.00 GRM5 (0.48) GRM5CLPPMEN1KMT2ARAB9A
SCHEMBL1971965 0.90 GRM5 (0.47) GRM5RAB9AALDH1A1LMNATSHR
SCHEMBL1971967 0.90 GRM5 (0.47) GRM5RAB9AALDH1A1LMNATSHR
SCHEMBL1973381 0.89 HDAC4 (0.47) GRM5CLPPMEN1KMT2ARAB9A
SCHEMBL1973378 0.89 HDAC4 (0.47) GRM5CLPPMEN1KMT2ARAB9A
SCHEMBL1974274 0.89 HSD11B1 (0.47) GRM5RAB9A
SCHEMBL1974271 0.89 HSD11B1 (0.47) GRM5RAB9A
SCHEMBL5145071 0.85 GRM5 (0.54) GRM5CLPPMEN1KMT2ARAB9A
SCHEMBL191837 0.85 MEN1 (0.54) GRM5CLPPMEN1KMT2ARAB9A
SCHEMBL191838 0.85 MEN1 (0.54) GRM5CLPPMEN1KMT2ARAB9A

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 GRM5 1/4885CLPP 4541/4885MEN1 4289/4885

“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.