SCHEMBL2600288

SCHEMBL2600288

CBN1CCCC(C(=O)NC)C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.49
TSHR P16473 5/20 0.39
ALDH1A1 P00352 3/20 0.37
RXFP1 Q9HBX9 1/20 0.35
DPP4 P27487 1/20 0.35
RAB9A P51151 2/20 0.34
MAPK1 P28482 1/20 0.34
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NOTUM Q6P988 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL13045973 0.87 BCHE (0.38) BCHETSHRALDH1A1RAB9AUSP2
SCHEMBL2600231 0.85 TSHR (0.38) BCHETSHRALDH1A1RAB9AMAPK1
SCHEMBL13045997 0.82 KDM4E (0.38) BCHETSHRALDH1A1USP2SMN1; SMN2
SCHEMBL2600230 0.80 ALDH1A1 (0.49) TSHRALDH1A1SMN1; SMN2NOTUMKMT2A
SCHEMBL2600229 0.79 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL2600262 0.79 ALDH1A1 (0.46) BCHEALDH1A1RAB9AMAPK1SMN1; SMN2
SCHEMBL2600287 0.77 BCHE (0.56) BCHETSHRALDH1A1RXFP1DPP4
SCHEMBL26971791 0.77 BCHE (0.56) BCHETSHRALDH1A1RXFP1DPP4
SCHEMBL20715130 0.75 BCHE (0.51) BCHETSHRALDH1A1RXFP1DPP4
SCHEMBL13654265 0.75 BCHE (0.51) BCHETSHRALDH1A1RXFP1DPP4

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-8163775-B2 Allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2012-04-24 US disclosed
US-20120022108-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2012-01-26 US disclosed
US-8030331-B2 Allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2011-10-04 US disclosed
US-20110112143-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2011-05-12 US disclosed
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 (3 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 BCHE 855/4885TSHR 268/4885ALDH1A1 3593/4885
US-20120022108-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 BCHE 855/4885TSHR 268/4885ALDH1A1 3593/4885
US-20110112143-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 BCHE 855/4885TSHR 268/4885ALDH1A1 3593/4885

“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.