SCHEMBL1609224

SCHEMBL1609224

COC(=O)c1nc(C2CC2)nc(N[C@@H](C)C2CCCCC2)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.43
CHRM3 P20309 2/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
RPS6KB1 P23443 1/20 0.35
LDHA P00338 1/20 0.35
LDHB P07195 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
MMP2 P08253 2/20 0.35
CA9 Q16790 2/20 0.35
P2RX7 Q99572 2/20 0.34
MDM2 Q00987 3/20 0.34
PRLHR P49683 2/20 0.34
OPRK1 P41145 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 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
SCHEMBL1609794 0.94 PDE10A (0.43) PDE10AMDM2
SCHEMBL1609810 0.83 PDE10A (0.56) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL1610708 0.82 PDE10A (0.41) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL1610275 0.82 PDE10A (0.57) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL1610366 0.79 PDE10A (0.39) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL1610367 0.79 PDE10A (0.39) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL1610199 0.79 PDE10A (0.53) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL1610047 0.79 PDE10A (0.49) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL1610335 0.78 PDE10A (0.48) PDE10A
SCHEMBL1609364 0.78 PDE10A (0.39) 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 3 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
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.