SCHEMBL4133752

SCHEMBL4133752

Cc1ncccc1C(=O)N1CCCC(c2nc(-c3ccc(F)cc3)no2)C1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.75
GRM5 P41594 1/20 0.71
CLPP Q16740 1/20 0.71
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
TSHR P16473 4/20 0.68
ALDH1A1 P00352 3/20 0.68
LMNA P02545 3/20 0.68
HTT P42858 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
POLB P06746 1/20 0.68
PKM P14618 1/20 0.65
RAB9A P51151 1/20 0.64
NPSR1 Q6W5P4 2/20 0.63
TP53 P04637 1/20 0.63
ALOX15 P16050 1/20 0.63
MAPK1 P28482 1/20 0.63

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
SCHEMBL4133747 1.00 HSD11B1 (0.75) HSD11B1GRM5CLPPMEN1KMT2A
SCHEMBL4142997 0.91 GRM5 (0.73) HSD11B1GRM5CLPPMEN1KMT2A
SCHEMBL4142992 0.91 GRM5 (0.73) HSD11B1GRM5CLPPMEN1KMT2A
SCHEMBL4144196 0.88 HSD11B1 (0.85) HSD11B1GRM5CLPPMEN1KMT2A
SCHEMBL4144201 0.88 HSD11B1 (0.85) HSD11B1GRM5CLPPMEN1KMT2A
SCHEMBL4145397 0.85 HSD11B1 (0.72) HSD11B1GRM5CLPPMEN1KMT2A
SCHEMBL4145392 0.85 HSD11B1 (0.72) HSD11B1GRM5CLPPMEN1KMT2A
SCHEMBL4152495 0.85 GRM5 (0.73) HSD11B1GRM5CLPPMEN1KMT2A
SCHEMBL4152490 0.85 GRM5 (0.73) HSD11B1GRM5CLPPMEN1KMT2A
SCHEMBL4143017 0.84 HSD11B1 (0.73) HSD11B1GRM5CLPPMEN1KMT2A

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 9 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
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
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
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 HSD11B1 3098/4885GRM5 1/4885CLPP 4656/4885

“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.