SCHEMBL1609772

SCHEMBL1609772

CCOC(=O)c1nc(C2CC2)nc(NCc2ccccc2)c1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.61
NPSR1 Q6W5P4 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
GAA P10253 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
CHRM3 P20309 1/20 0.52
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
CDC7 O00311 1/20 0.48
DBF4 Q9UBU7 1/20 0.48
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL1609704 0.90 PDE10A (0.62) PDE10ANPSR1CYP1A2CYP3A4GAA
SCHEMBL1611084 0.85 PDE10A (0.60) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL1610198 0.84 ALDH1A1 (0.48) PDE10ANPSR1GAAMEN1KMT2A
SCHEMBL1609451 0.83 PDE10A (0.52) PDE10ACYP3A4CHRM3PDE4APDE4B
SCHEMBL1610059 0.82 PDE10A (0.57) PDE10AGAACHRM3PDE4APDE4B
SCHEMBL1609839 0.82 PDE10A (0.52) PDE10ANPSR1CYP1A2CYP3A4GAA
SCHEMBL1609147 0.81 PDE10A (0.50) PDE10ANPSR1CHRM3PDE4APDE4B
SCHEMBL1609721 0.81 PDE10A (0.51) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL1609768 0.81 PDE10A (0.49) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL1609755 0.81 PDE10A (0.63) PDE10ACYP3A4CHRM3PDE4APDE4B

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 1704/4885NPSR1 2070/4885CYP1A2 84/4885

“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.