SCHEMBL1608985

SCHEMBL1608985

COC(=O)c1nc(C2CC2)nc(NCCCc2ccccc2)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.47
CHRM3 P20309 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
PLAU P00749 2/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ASPH Q12797 1/20 0.37
KDM8 Q8N371 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
SLC2A1 P11166 1/20 0.37
CES1 P23141 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PLA2G2A P14555 1/20 0.36

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
SCHEMBL1610108 0.97 PDE10A (0.46) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL1609426 0.94 PDE10A (0.48) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL1610980 0.89 PDE10A (0.51) PDE10A
SCHEMBL1609704 0.87 PDE10A (0.62) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL1610344 0.86 PDE10A (0.44) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL1610306 0.85 PLAU (0.47) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL1610415 0.84 PDE10A (0.43) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL1610314 0.82 PDE10A (0.44) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL1609894 0.82 PDE10A (0.43) PDE10AALDH1A1SMN1; SMN2HSD17B10MEN1
SCHEMBL1608939 0.82 ALDH1A1 (0.44) PDE10AALDH1A1SMN1; SMN2

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.