SCHEMBL4130443

SCHEMBL4130443

O=C(c1ccccc1NCc1ccccc1)N1CCCC(c2nc(-c3ccc(F)cc3)no2)C1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.65
CLPP Q16740 1/20 0.65
HSD11B1 P28845 5/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
POLB P06746 1/20 0.63
TSHR P16473 5/20 0.62
LMNA P02545 4/20 0.62
TUBB4A P04350 1/20 0.61
TUBB P07437 1/20 0.61
TUBA3C P0DPH7 1/20 0.61
TUBA1B P68363 1/20 0.61
TUBA4A P68366 1/20 0.61
TUBB4B P68371 1/20 0.61
TUBB3 Q13509 1/20 0.61
TUBB2A Q13885 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
SCHEMBL4130438 1.00 GRM5 (0.65) GRM5CLPPHSD11B1MEN1KMT2A
SCHEMBL4145392 0.87 HSD11B1 (0.72) GRM5CLPPHSD11B1MEN1KMT2A
SCHEMBL4145397 0.87 HSD11B1 (0.72) GRM5CLPPHSD11B1MEN1KMT2A
SCHEMBL193123 0.83 GRM5 (0.90) GRM5CLPPHSD11B1MEN1KMT2A
SCHEMBL13737745 0.83 HSD11B1 (0.73) GRM5CLPPHSD11B1MEN1KMT2A
SCHEMBL4143017 0.83 HSD11B1 (0.73) GRM5CLPPHSD11B1MEN1KMT2A
SCHEMBL4144196 0.82 HSD11B1 (0.85) GRM5CLPPHSD11B1MEN1KMT2A
SCHEMBL4144201 0.82 HSD11B1 (0.85) GRM5CLPPHSD11B1MEN1KMT2A
SCHEMBL192635 0.81 GRM5 (0.90) GRM5CLPPHSD11B1MEN1KMT2A
SCHEMBL192636 0.81 GRM5 (0.90) GRM5CLPPHSD11B1MEN1KMT2A

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 6 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
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 claimed
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 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 4656/4885HSD11B1 3098/4885

“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.