SCHEMBL13046048

SCHEMBL13046048

CBN1CCCC(NC(C)=O)C1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.53
CA2 P00918 4/20 0.53
CA12 O43570 2/20 0.53
CA9 Q16790 2/20 0.53
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
ATM Q13315 1/20 0.37
EPHX2 P34913 2/20 0.37
EPHX1 P07099 1/20 0.37
ROCK1 Q13464 1/20 0.36
CDC42BPB Q9Y5S2 1/20 0.36
AKT1 P31749 1/20 0.35
VNN1 O95497 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33

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
SCHEMBL13910104 0.82 L3MBTL1 (0.38) CA1CA2CA12CA9ALDH1A1
SCHEMBL10149375 0.77 CA1 (0.45) CA1CA2CA12CA9ALDH1A1
SCHEMBL10211551 0.77 CA1 (0.57) CA1CA2CA12CA9ALDH1A1
SCHEMBL9790160 0.77 CA1 (0.57) CA1CA2CA12CA9ALDH1A1
SCHEMBL10061696 0.77 CA1 (0.57) CA1CA2CA12CA9ALDH1A1
SCHEMBL11949313 0.75 CA1 (0.55) CA1CA2CA12CA9ALDH1A1
SCHEMBL11949314 0.75 CA1 (0.55) CA1CA2CA12CA9ALDH1A1
SCHEMBL13654286 0.75 CA1 (0.55) CA1CA2CA12CA9ALDH1A1
SCHEMBL13654289 0.75 CA1 (0.55) CA1CA2CA12CA9ALDH1A1
SCHEMBL30528703 0.74 CA1 (0.54) CA1CA2CA12CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834035-B2 Schizophrenia and related disorders; positive allosteric modulators of mGluR5; {3-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-phenyl-methanone for example; compounds are all contain a 5-(1-carbonylpiperidin-3-yl)-1,2,4-oxadiazole moiety ADDEX PHARMA SA (CH) 2010-11-16 US disclosed
US-20070219187-A1 Allosteric Modulators of Metabotropic Glutamate Receptors ADDEX PHARMA SA (CH) 2007-09-20 US 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-20070219187-A1 Allosteric Modulators of Metabotropic Glutamate Receptors GRM5, GRM2, GRM1 CA1 2771/4885CA2 1869/4885CA12 4593/4885

“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.