SCHEMBL4138855

SCHEMBL4138855

Cc1cccc(-c2noc(C3CCCN(C(=O)OC(C)(C)C)C3)n2)n1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.52
HSD11B1 P28845 9/20 0.49
RAB9A P51151 3/20 0.49
ALDH1A1 P00352 2/20 0.49
TP53 P04637 2/20 0.49
TSHR P16473 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 2/20 0.49
LMNA P02545 1/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL4138850 1.00 GRM5 (0.52) GRM5HSD11B1RAB9AALDH1A1TP53
SCHEMBL193072 0.86 GRM5 (0.69) GRM5HSD11B1RAB9AALDH1A1TP53
SCHEMBL193071 0.86 GRM5 (0.69) GRM5HSD11B1RAB9AALDH1A1TP53
SCHEMBL193424 0.84 ALDH1A1 (0.58) GRM5HSD11B1RAB9AALDH1A1TP53
SCHEMBL193425 0.84 ALDH1A1 (0.58) GRM5HSD11B1RAB9AALDH1A1TP53
SCHEMBL193157 0.84 HSD11B1 (0.70) HSD11B1ALDH1A1
SCHEMBL193158 0.84 HSD11B1 (0.70) HSD11B1ALDH1A1
SCHEMBL4138801 0.83 HSD11B1 (0.57) HSD11B1RAB9AALDH1A1TP53TSHR
SCHEMBL4138796 0.83 HSD11B1 (0.57) HSD11B1RAB9AALDH1A1TP53TSHR
SCHEMBL192613 0.83 ALDH1A1 (0.64) GRM5HSD11B1RAB9AALDH1A1TP53

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 3 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 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 1/4885HSD11B1 3098/4885RAB9A 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.