SCHEMBL1609398

SCHEMBL1609398

O=C(O)c1nc(C2CC2)nc(NC2CCCC2)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.54
CHRM3 P20309 15/20 0.50
PDE4A P27815 15/20 0.50
PDE4B Q07343 15/20 0.50
PDE4C Q08493 15/20 0.50
PDE4D Q08499 15/20 0.50
OGG1 O15527 1/20 0.47
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
HCAR3 P49019 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
SCHEMBL1610459 0.99 CHRM3 (0.52) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL1609597 0.94 PDE10A (0.46) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL1610275 0.85 PDE10A (0.57) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL1609810 0.84 PDE10A (0.56) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL1610199 0.82 PDE10A (0.53) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL1610047 0.79 PDE10A (0.49) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL12738422 0.75 PDE10A (0.55) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL2470158 0.75 PDE10A (0.57) PDE10APDE4BPDE4D
SCHEMBL719516 0.75 TDP1 (0.47) PDE10APDE4BPDE4D
SCHEMBL12738156 0.74 CHRM3 (0.54) PDE10ACHRM3PDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
WO-2009081112-A2 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-07-02 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-20110086759-A1 CHEMICAL COMPOUNDS DDT, PNPO, CBR3 PDE10A 1704/4885CHRM3 2705/4885PDE4A 1115/4885

“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.