SCHEMBL2600262

SCHEMBL2600262

CBN1CCCC(C(N)=O)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 1/20 0.46
BCHE P06276 1/20 0.46
LMNA P02545 2/20 0.45
HSD17B10 Q99714 3/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 3/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
CYP2D6 P10635 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL2600230 0.83 ALDH1A1 (0.49) ALDH1A1LMNAHSD17B10KMT2ASMN1; SMN2
SCHEMBL2600231 0.81 TSHR (0.38) ALDH1A1MAPK1BCHELMNAHSD17B10
SCHEMBL2600229 0.79 SMN1; SMN2 (0.46) ALDH1A1GAASMN1; SMN2KDM4EMAPT
SCHEMBL2600288 0.79 BCHE (0.49) ALDH1A1MAPK1BCHEHSD17B10GAA
SCHEMBL13045973 0.76 BCHE (0.38) ALDH1A1BCHEGAAKMT2ASMN1; SMN2
SCHEMBL13045997 0.75 KDM4E (0.38) ALDH1A1BCHEGAAKMT2ASMN1; SMN2
SCHEMBL12310449 0.75 BCHE (0.54) ALDH1A1MAPK1BCHELMNAHSD17B10
SCHEMBL735137 0.75 BCHE (0.54) ALDH1A1MAPK1BCHELMNAHSD17B10
SCHEMBL4498148 0.75 BCHE (0.54) ALDH1A1MAPK1BCHELMNAHSD17B10
Hydrochloric Acid SCHEMBL6500960 0.73 BCHE (0.53) ALDH1A1MAPK1BCHELMNAHSD17B10

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-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-20100081690-A1 OXAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2010-04-01 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 (4 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 ALDH1A1 3593/4885MAPK1 1952/4885BCHE 855/4885
US-20120022108-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 ALDH1A1 3593/4885MAPK1 1952/4885BCHE 855/4885
US-20110112143-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 ALDH1A1 3593/4885MAPK1 1952/4885BCHE 855/4885
US-20100081690-A1 OXAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 ALDH1A1 4006/4885MAPK1 1335/4885BCHE 913/4885

“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.