SCHEMBL2600219

SCHEMBL2600219

CC#CC1CCCN(C(C)=O)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 1/20 0.36
HTR2A P28223 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
EPHX2 P34913 2/20 0.34
LMNA P02545 1/20 0.34
EPHX1 P07099 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
CHRM2 P08172 4/20 0.33
CHRM4 P08173 4/20 0.33
CHRM5 P08912 4/20 0.33
CHRM1 P11229 4/20 0.33
CHRM3 P20309 4/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
CHRNB2 P17787 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
SCHEMBL2639869 0.81 ALDH1A1 (0.38) ALDH1A1MAPK1HTR2ATMEM97SIGMAR1
SCHEMBL3762272 0.80 ALDH1A1 (0.40) ALDH1A1MAPK1HTR2ATMEM97SIGMAR1
SCHEMBL18478125 0.80 ALDH1A1 (0.40) ALDH1A1MAPK1HTR2ATMEM97SIGMAR1
SCHEMBL18478943 0.80 ALDH1A1 (0.40) ALDH1A1MAPK1HTR2ATMEM97SIGMAR1
SCHEMBL23707299 0.78 MEN1 (0.53) ALDH1A1EPHX1MAPT
SCHEMBL23704298 0.78 MEN1 (0.53) ALDH1A1EPHX1MAPT
SCHEMBL24935704 0.77 EPHX2 (0.42) EPHX2EPHX1KDM4E
SCHEMBL17470944 0.72 CHRNB2 (0.35) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL3606966 0.71 CA12 (0.52) ALDH1A1MAPK1HTR2ATMEM97SIGMAR1
SCHEMBL20738739 0.71 CA12 (0.52) ALDH1A1MAPK1HTR2ATMEM97SIGMAR1

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 ALDH1A1 3593/4885MAPK1 1952/4885HTR2A 249/4885
US-20120022108-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 ALDH1A1 3593/4885MAPK1 1952/4885HTR2A 249/4885
US-20110112143-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 ALDH1A1 3593/4885MAPK1 1952/4885HTR2A 249/4885

“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.