SCHEMBL5864903

SCHEMBL5864903

CC(C)(C)OC(=O)N1CCC(Oc2ccc(N)cc2C(N)=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.54
PDE4D Q08499 3/20 0.53
PDE4A P27815 2/20 0.53
PDE4C Q08493 2/20 0.53
GPR119 Q8TDV5 7/20 0.52
KDM1A O60341 1/20 0.52
CHEK2 O96017 1/20 0.49
NR1H2 P55055 1/20 0.47
PARP1 P09874 2/20 0.46

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
SCHEMBL5970435 0.89 PDE4B (0.51) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL5970621 0.88 GPR119 (0.56) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL3281524 0.88 PDE4B (0.52) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL16828811 0.88 PDE4B (0.52) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL5970769 0.86 PDE4B (0.53) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL4460693 0.86 PDE4B (0.54) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL5971017 0.85 PDE4B (0.67) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL2749734 0.85 PDE4B (0.53) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL5971118 0.85 PDE4B (0.53) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL5971305 0.85 GPR119 (0.66) PDE4BPDE4DPDE4APDE4CGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030138-B2 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2006-04-18 US disclosed
EP-1245564-B1 BENZAMIDINE DERIVATIVES SANKYO CO (JP) 2006-04-05 EP disclosed
US-20040248981-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-12-09 US disclosed
US-20040147555-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-07-29 US disclosed
US-20040010009-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-15 US disclosed
EP-1375482-A1 BENZAMIDINE DERIVATIVE Sankyo Company, Limited (JP) 2004-01-02 EP disclosed
US-6555556-B1 N-(4-(1-acetimidoylpiperidin-4-yl)oxyphenyl)-N-((E)-3-(3 -amidinophenyl)-2-methyl-2-propenyl)sulfamoylacetic acid dihydrochloride for example; factor Xa inhibitors SANKYO COMPANY, LIMITED (JP) 2003-04-29 US disclosed
EP-1245564-A1 BENZAMIDINE DERIVATIVES Sankyo Company, Limited (JP) 2002-10-02 EP 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-20040147555-A1 Benzamidine derivatives F9, F7, F2 PDE4B 3861/4885PDE4D 3926/4885PDE4A 3764/4885
US-20040010009-A1 Benzamidine derivatives HABP2, F7, F2 PDE4B 3983/4885PDE4D 4062/4885PDE4A 3917/4885
US-20040248981-A1 Benzamidine derivatives HABP2, F7, F2 PDE4B 4031/4885PDE4D 4105/4885PDE4A 3975/4885

“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.