SCHEMBL4151187

SCHEMBL4151187

O=C(C1CCCCC1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.80
GRM5 P41594 8/20 0.75
CLPP Q16740 1/20 0.75
POLB P06746 1/20 0.68
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
TSHR P16473 2/20 0.67
ALDH1A1 P00352 1/20 0.67
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
PKM P14618 1/20 0.65

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
SCHEMBL4151196 1.00 HSD11B1 (0.80) HSD11B1GRM5CLPPPOLBMEN1
SCHEMBL415297 0.99 HSD11B1 (0.78) HSD11B1GRM5CLPPPOLBMEN1
SCHEMBL193948 0.99 HSD11B1 (0.78) HSD11B1GRM5CLPPPOLBMEN1
SCHEMBL4130483 0.92 GRM5 (0.72) HSD11B1GRM5CLPPPOLBMEN1
SCHEMBL4130486 0.92 GRM5 (0.72) HSD11B1GRM5CLPPPOLBMEN1
SCHEMBL4152447 0.91 GRM5 (0.71) HSD11B1GRM5CLPPPOLBMEN1
SCHEMBL4152444 0.91 GRM5 (0.71) HSD11B1GRM5CLPPPOLBMEN1
SCHEMBL193322 0.90 GRM5 (0.70) HSD11B1GRM5CLPPPOLBMEN1
SCHEMBL193323 0.90 GRM5 (0.70) HSD11B1GRM5CLPPPOLBMEN1
SCHEMBL22280303 0.88 GRM5 (0.71) HSD11B1GRM5CLPPPOLBMEN1

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
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

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.