SCHEMBL1610459

SCHEMBL1610459

O=C(O)c1nc(C2CC2)nc(NC2CCCCC2)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 15/20 0.52
PDE4A P27815 15/20 0.52
PDE4B Q07343 15/20 0.52
PDE4C Q08493 15/20 0.52
PDE4D Q08499 15/20 0.52
PDE10A Q9Y233 2/20 0.52
OGG1 O15527 1/20 0.49
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
KMT2A Q03164 1/20 0.37

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
SCHEMBL1609398 0.99 PDE10A (0.54) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL1609597 0.93 PDE10A (0.46) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL1609810 0.85 PDE10A (0.56) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL1610275 0.84 PDE10A (0.57) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL1610199 0.81 PDE10A (0.53) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL1610047 0.78 PDE10A (0.49) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL12738156 0.76 CHRM3 (0.54) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL12738422 0.74 PDE10A (0.55) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL2470158 0.74 PDE10A (0.57) PDE4BPDE4DPDE10A
SCHEMBL719516 0.74 TDP1 (0.47) PDE4BPDE4DPDE10AKMT2A

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 CHRM3 2705/4885PDE4A 1115/4885PDE4B 1132/4885

“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.