SCHEMBL1609158

SCHEMBL1609158

COC(=O)COc1nc(C2CC2)nc(NCC2CC2)c1C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 13/20 0.39
TSHR P16473 2/20 0.36
MAPK1 P28482 1/20 0.36
CHRM3 P20309 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
NR1I2 O75469 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
LRRK2 Q5S007 1/20 0.34
PTGER4 P35408 1/20 0.34
BDKRB1 P46663 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL1610787 0.89 PDE10A (0.41) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL12713482 0.89 SYK (0.36) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL1610413 0.87 PDE10A (0.38) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL1609916 0.86 PDE10A (0.37) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL1609868 0.86 PDE10A (0.35) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL718535 0.85 TSHR (0.41) PDE10ATSHRMAPK1CHRM3PDE4A
Trifluoroacetic Acid SCHEMBL1609867 0.83 PDE10A (0.39) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL13769259 0.81 TSHR (0.42) PDE10ATSHRMAPK1NR1I2CYP3A4
SCHEMBL13769181 0.81 PDE10A (0.40) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL717059 0.80 TSHR (0.38) PDE10ATSHRMAPK1ALDH1A1

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 6 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
EP-2237669-A2 CHEMICAL COMPOUNDS Syngenta Limited (GB) 2010-10-13 EP disclosed
WO-2009081112-A2 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-07-02 WO 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 1704/4885TSHR 533/4885MAPK1 1418/4885

“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.