SCHEMBL3582283

SCHEMBL3582283

Fc1c[nH]c(-c2coc([C@H]3CCCNC3)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.40
CHEK1 O14757 3/20 0.36
CCNA2 P20248 2/20 0.36
CDK2 P24941 2/20 0.36
CCNA1 P78396 2/20 0.36
MAPK13 O15264 1/20 0.33
RAF1 P04049 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
CHRM1 P11229 1/20 0.33
HRH1 P35367 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
KCNH2 Q12809 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
SCHEMBL3582287 1.00 MPO (0.40) MPOCHEK1CCNA2CDK2CCNA1
SCHEMBL27760095 0.83 IKBKB (0.35) MPOCHRM1HRH1
SCHEMBL3581077 0.79 MAPK11 (0.47) MPOCHEK1CCNA2CDK2CCNA1
SCHEMBL3581075 0.79 MAPK11 (0.47) MPOCHEK1CCNA2CDK2CCNA1
SCHEMBL3582249 0.77 MPO (0.47) MPOCHEK1CCNA2CDK2CCNA1
Hydrochloric Acid SCHEMBL1969657 0.77 TLR9 (0.39) MPOCHEK1CCNA2CDK2CCNA1
SCHEMBL3582248 0.77 MPO (0.47) MPOCHEK1CCNA2CDK2CCNA1
Hydrochloric Acid SCHEMBL1969655 0.77 TLR9 (0.39) MPOCHEK1CCNA2CDK2CCNA1
SCHEMBL3583291 0.74 ACP1 (0.41) MPOCHEK1CCNA2CDK2CCNA1
SCHEMBL3583286 0.74 ACP1 (0.41) MPOCHEK1CCNA2CDK2CCNA1

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 MPO 3969/4885CHEK1 4304/4885CCNA2 3856/4885

“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.