SCHEMBL3583286

SCHEMBL3583286

Fc1ccccc1-c1coc([C@H]2CCCNC2)n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.41
IKBKB O14920 3/20 0.39
MPO P05164 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
CHRM1 P11229 1/20 0.38
HRH1 P35367 1/20 0.38
CHUK O15111 1/20 0.38
CHEK1 O14757 2/20 0.37
CCNA2 P20248 2/20 0.37
CDK2 P24941 2/20 0.37
CCNA1 P78396 2/20 0.37
PLAT P00750 1/20 0.36
PARP1 P09874 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
DPP4 P27487 1/20 0.35

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
SCHEMBL3583291 1.00 ACP1 (0.41) ACP1IKBKBMPOIRAK4CHRM1
Hydrochloric Acid SCHEMBL4599388 0.99 ACP1 (0.40) ACP1IKBKBMPOIRAK4CHRM1
SCHEMBL3582248 0.85 MPO (0.47) MPOIRAK4CHRM1HRH1CHEK1
SCHEMBL3582249 0.85 MPO (0.47) MPOIRAK4CHRM1HRH1CHEK1
SCHEMBL20028880 0.80 SLC6A2 (0.42) IKBKBCHRM1HRH1CHEK1CCNA2
SCHEMBL3581077 0.80 MAPK11 (0.47) ACP1MPOIRAK4CHRM1HRH1
SCHEMBL3581075 0.80 MAPK11 (0.47) ACP1MPOIRAK4CHRM1HRH1
Hydrochloric Acid SCHEMBL21145354 0.79 SLC6A2 (0.41) IKBKBCHRM1HRH1CHEK1CCNA2
Hydrochloric Acid SCHEMBL192820 0.77 CNR2 (0.47) PLAT
Hydrochloric Acid SCHEMBL192819 0.77 CNR2 (0.47) PLAT

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 ACP1 2704/4885IKBKB 3135/4885MPO 3969/4885

“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.