SCHEMBL13045997

SCHEMBL13045997

CBN1CCCC(C(=O)NNC(C)=O)C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
CYP2C19 P33261 2/20 0.38
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.35
BCHE P06276 2/20 0.34
POLB P06746 2/20 0.34
EIF2AK3 Q9NZJ5 1/20 0.34
GAA P10253 2/20 0.33
CYP2C9 P11712 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
USP2 O75604 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL13045973 0.86 BCHE (0.38) KDM4ECYP2C19TSHRALDH1A1BCHE
SCHEMBL2600288 0.82 BCHE (0.49) KDM4ETSHRALDH1A1BCHEGAA
SCHEMBL2600231 0.81 TSHR (0.38) KDM4ETSHRALDH1A1BCHEGAA
SCHEMBL2600258 0.79 BCHE (0.39) KDM4ECYP2C19TSHRALDH1A1BCHE
SCHEMBL2600230 0.76 ALDH1A1 (0.49) KDM4ECYP2C19TSHRALDH1A1CYP2C9
SCHEMBL2600229 0.76 SMN1; SMN2 (0.46) KDM4EALDH1A1POLBGAASMN1; SMN2
SCHEMBL2600262 0.75 ALDH1A1 (0.46) KDM4EALDH1A1BCHEGAAKMT2A
SCHEMBL13046048 0.72 CA1 (0.53) KDM4EALDH1A1SMN1; SMN2
SCHEMBL17154475 0.69 NAMPT (0.47) CYP2C19ALDH1A1POLBGAACYP2C9
SCHEMBL9029829 0.67 MKNK1 (0.38) ALDH1A1GAAMEN1KMT2ASMN1; SMN2

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 KDM4E 2094/4885CYP2C19 4090/4885TSHR 268/4885

“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.