SCHEMBL3581075

SCHEMBL3581075

Fc1ccc(-c2coc([C@H]3CCCNC3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 2/20 0.47
MAPK14 Q16539 2/20 0.47
MAPK13 O15264 1/20 0.47
RAF1 P04049 1/20 0.47
MAPK9 P45984 1/20 0.47
MAPK12 P53778 1/20 0.47
MPO P05164 1/20 0.45
HTR2A P28223 4/20 0.44
HTR2C P28335 4/20 0.44
DRD2 P14416 1/20 0.44
KCNH2 Q12809 1/20 0.44
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
CHRM1 P11229 1/20 0.41
HRH1 P35367 1/20 0.41
CHEK1 O14757 3/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
ACP1 P24666 2/20 0.38

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
SCHEMBL3581077 1.00 MAPK11 (0.47) MAPK11MAPK14MAPK13RAF1MAPK9
SCHEMBL27760173 0.83 CHRM1 (0.39) MAPK11MAPK14MAPK13RAF1MAPK9
SCHEMBL3582249 0.83 MPO (0.47) MAPK11MAPK14MAPK13RAF1MAPK9
SCHEMBL3582248 0.83 MPO (0.47) MAPK11MAPK14MAPK13RAF1MAPK9
SCHEMBL3583291 0.80 ACP1 (0.41) MPOCHRM1HRH1CHEK1CCNA2
SCHEMBL3583286 0.80 ACP1 (0.41) MPOCHRM1HRH1CHEK1CCNA2
SCHEMBL3582283 0.79 MPO (0.40) MAPK11MAPK14MAPK13RAF1MAPK9
Hydrochloric Acid SCHEMBL4599388 0.79 ACP1 (0.40) MPOCHRM1HRH1CHEK1CCNA2
SCHEMBL3582287 0.79 MPO (0.40) MAPK11MAPK14MAPK13RAF1MAPK9
SCHEMBL20028885 0.79 CHEK1 (0.43) HTR2AHTR2CDRD2KCNH2CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2089386-B1 OXAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2012-08-08 EP disclosed
US-20100081690-A1 OXAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2010-04-01 US disclosed
CN-101558065-A Oxazole derivatives as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA (CH) 2009-10-14 CN disclosed
EP-2089386-A2 OXAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2009-08-19 EP disclosed
WO-2008056259-A2 OXAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2008-05-15 WO 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-20100081690-A1 OXAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 MAPK11 1500/4885MAPK14 2150/4885MAPK13 2234/4885

“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.