SCHEMBL1610460

SCHEMBL1610460

O=C(O)c1nc(C2CC2)nc(NC2(c3ccccn3)CC2)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.37
ADORA2A P29274 1/20 0.36
GRM4 Q14833 1/20 0.36
OPRM1 P35372 3/20 0.35
OPRL1 P41146 3/20 0.35
HSD11B1 P28845 1/20 0.34
SMO Q99835 1/20 0.34
PDE10A Q9Y233 1/20 0.33
KCNA5 P22460 1/20 0.33
CNR2 P34972 2/20 0.33
CNR1 P21554 1/20 0.33
EPHX2 P34913 1/20 0.32
PDE7B Q9NP56 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL1609780 0.89 ADORA2A (0.40) VNN1ADORA2AGRM4OPRM1OPRL1
SCHEMBL1610283 0.75 FPR2 (0.35) PDE10AALDH1A1SMN1; SMN2
SCHEMBL1611084 0.71 PDE10A (0.60) PDE10ACHRM3SMN1; SMN2PDE4BPDE4D
SCHEMBL1609959 0.71 PDE10A (0.41) PDE10AKCNA5CHRM3ALDH1A1SMN1; SMN2
SCHEMBL1609295 0.69 PDE10A (0.44) ADORA2APDE10AKCNA5CHRM3PDE4B
SCHEMBL1610062 0.69 PDE2A (0.40) HSD11B1CNR2CNR1ALDH1A1MAPT
SCHEMBL1609597 0.69 PDE10A (0.46) PDE10ACHRM2CHRM4CHRM5CHRM1
SCHEMBL1611392 0.68 PDE10A (0.44) PDE10AKCNA5CHRM3ALDH1A1SMN1; SMN2
SCHEMBL1611017 0.68 PDE2A (0.38) PDE10ANPC1MAPTRAB9A
SCHEMBL1611006 0.67 PDE10A (0.41) VNN1PDE10A

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 VNN1 2057/4885ADORA2A 1194/4885GRM4 2548/4885

“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.