SCHEMBL1609780

SCHEMBL1609780

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.40
OPRM1 P35372 2/20 0.38
OPRL1 P41146 2/20 0.38
VNN1 O95497 1/20 0.35
GRM4 Q14833 1/20 0.34
SMO Q99835 1/20 0.34
PDE10A Q9Y233 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
HSD17B10 Q99714 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
HSD11B1 P28845 1/20 0.33
NPY5R Q15761 1/20 0.32
SCD O00767 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL1610460 0.89 VNN1 (0.37) ADORA2AOPRM1OPRL1VNN1GRM4
SCHEMBL1610283 0.87 FPR2 (0.35) PDE10AHSD17B10KDM4EALDH1A1SMN1; SMN2
SCHEMBL1610062 0.81 PDE2A (0.40) KDM4EALDH1A1SMN1; SMN2HSD11B1SLC6A3
SCHEMBL1611017 0.80 PDE2A (0.38) PDE10AHSD17B10KDM4ECYP3A4MAPK1
SCHEMBL1611006 0.79 PDE10A (0.41) VNN1PDE10A
SCHEMBL12712709 0.78 SLC6A3 (0.40) HSD17B10KDM4EALDH1A1NPY5RSLC6A3
SCHEMBL1610743 0.78 KCNA5 (0.49) ADORA2AVNN1PDE10AHSD17B10KDM4E
SCHEMBL1610628 0.77 ADORA2A (0.42) ADORA2APDE10A
SCHEMBL1608939 0.76 ALDH1A1 (0.44) PDE10AKDM4EALDH1A1SMN1; SMN2HSD11B1
SCHEMBL1610775 0.75 PDE10A (0.35) PDE10AHSD17B10KDM4EALDH1A1SMN1; 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 ADORA2A 1194/4885OPRM1 3371/4885OPRL1 4317/4885

“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.