SCHEMBL4228341

SCHEMBL4228341

Cc1oncc1C(=O)N1CCCC(c2noc(-c3ccccc3F)n2)C1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.57
HCRTR1 O43613 10/20 0.49
HCRTR2 O43614 10/20 0.49
LMNA P02545 2/20 0.46
TSHR P16473 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL4233101 0.90 HSD11B1 (0.50) HSD11B1HCRTR1HCRTR2LMNATSHR
SCHEMBL4222914 0.86 HSD11B1 (0.60) HSD11B1LMNATSHRNPSR1ALDH1A1
SCHEMBL4236491 0.86 HSD11B1 (0.60) HSD11B1LMNATSHRNPSR1ALDH1A1
SCHEMBL4228318 0.84 HSD11B1 (0.56) HSD11B1HCRTR1HCRTR2LMNATSHR
SCHEMBL4151273 0.83 HSD11B1 (0.63) HSD11B1LMNATSHRNPSR1ALDH1A1
SCHEMBL4151267 0.83 HSD11B1 (0.63) HSD11B1LMNATSHRNPSR1ALDH1A1
SCHEMBL4233351 0.83 MEN1 (0.59) HSD11B1HCRTR1HCRTR2LMNATSHR
SCHEMBL4232296 0.83 HSD11B1 (0.61) HSD11B1HCRTR1HCRTR2LMNATSHR
SCHEMBL4636497 0.82 HSD11B1 (0.42) HSD11B1HCRTR1HCRTR2LMNANPSR1
SCHEMBL1968064 0.81 HSD11B1 (0.53) HSD11B1TSHRHTT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215822-A1 Substituted Oxadiazole Derivatives as Positive Allosteric Modulators of Metabotropic Glutamate Receptors NIKEM RESEARCH SRL (IT) 2009-08-27 US claimed
US-20090215822-A1 Substituted Oxadiazole Derivatives as Positive Allosteric Modulators of Metabotropic Glutamate Receptors NIKEM RESEARCH SRL (IT) 2009-08-27 US disclosed
US-20090215822-A1 Substituted Oxadiazole Derivatives as Positive Allosteric Modulators of Metabotropic Glutamate Receptors NIKEM RESEARCH SRL (IT) 2009-08-27 US disclosed
US-20090215822-A1 Substituted Oxadiazole Derivatives as Positive Allosteric Modulators of Metabotropic Glutamate Receptors NIKEM RESEARCH SRL (IT) 2009-08-27 US disclosed
EP-1893606-A2 SUBSTITUTED OXADIAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma SA (CH) 2008-03-05 EP disclosed
WO-2006123255-A2 SUBSTITUTED OXADIAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2006-11-23 WO disclosed
WO-2006123255-A2 SUBSTITUTED OXADIAZOLE DERIVATIVES 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-20090215822-A1 Substituted Oxadiazole Derivatives as Positive Allosteric Modulators of Metabotropic Glutamate Receptors GRM5, GRM3, GRM2 HSD11B1 3080/4885HCRTR1 92/4885HCRTR2 65/4885

“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.