Sugi Predict

Sugi Predict / Compounds / SCHEMBL4136780

SCHEMBL4136780

SCHEMBL4136780

O=C(c1ccccc1)c1cccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.75
▸ CLPP Q16740 1/20 0.75
▸ RAB9A P51151 1/20 0.73
▸ POLB P06746 1/20 0.72
▸ HSD11B1 P28845 4/20 0.71
▸ MEN1 O00255 2/20 0.68
▸ KMT2A Q03164 2/20 0.68
▸ CYP1A2 P05177 1/20 0.67
▸ CYP3A4 P08684 1/20 0.67
▸ CYP2C9 P11712 1/20 0.67
▸ CYP2C19 P33261 1/20 0.67
▸ TSHR P16473 4/20 0.66
▸ PKM P14618 1/20 0.66
▸ L3MBTL1 Q9Y468 1/20 0.63
▸ LMNA P02545 3/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ HTT P42858 2/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ TP53 P04637 1/20 0.61
▸ ALOX15 P16050 1/20 0.61

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
SCHEMBL4136784 1.00 GRM5 (0.75) GRM5CLPPRAB9APOLBHSD11B1
SCHEMBL193123 0.91 GRM5 (0.90) GRM5CLPPRAB9APOLBHSD11B1
SCHEMBL193906 0.91 RAB9A (0.87) GRM5CLPPRAB9APOLBHSD11B1
SCHEMBL193242 0.89 RAB9A (0.84) GRM5CLPPRAB9APOLBHSD11B1
SCHEMBL192636 0.87 GRM5 (0.90) GRM5CLPPPOLBHSD11B1MEN1
SCHEMBL192635 0.87 GRM5 (0.90) GRM5CLPPPOLBHSD11B1MEN1
SCHEMBL192098 0.86 GRM5 (1.00) GRM5CLPPRAB9APOLBHSD11B1
SCHEMBL192099 0.86 GRM5 (1.00) GRM5CLPPRAB9APOLBHSD11B1
SCHEMBL193680 0.86 GRM5 (1.00) GRM5CLPPRAB9APOLBHSD11B1
SCHEMBL4155385 0.85 GRM5 (0.66) GRM5CLPPRAB9APOLBHSD11B1

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
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 claimed
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 GRM5 1/4885CLPP 4656/4885RAB9A 2302/4885

“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.