SCHEMBL1611006

SCHEMBL1611006

COC(=O)c1nc(C2CC2)nc(NC2(c3ccc(C)nc3)CC2)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 9/20 0.41
VNN1 O95497 2/20 0.37
PDE2A O00408 1/20 0.37
P2RX7 Q99572 2/20 0.35
S1PR4 O95977 1/20 0.32
HDAC3 O15379 3/20 0.31
HDAC1 Q13547 3/20 0.31
HDAC2 Q92769 3/20 0.31
HDAC6 Q9UBN7 3/20 0.31
ITGA4 P13612 1/20 0.31
ITGB7 P26010 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
SCHEMBL1611017 0.91 PDE2A (0.38) PDE10APDE2AP2RX7HDAC3HDAC1
SCHEMBL1610062 0.87 PDE2A (0.40) PDE2AHDAC3HDAC1HDAC2HDAC6
SCHEMBL1610283 0.82 FPR2 (0.35) PDE10A
SCHEMBL1609780 0.79 ADORA2A (0.40) PDE10AVNN1
SCHEMBL12712903 0.78 PDE10A (0.67) PDE10A
SCHEMBL12712709 0.77 SLC6A3 (0.40) P2RX7S1PR4HDAC3HDAC1HDAC2
SCHEMBL1610087 0.73 PDE10A (0.47) PDE10A
SCHEMBL1610052 0.72 SLC6A3 (0.38)
SCHEMBL1610320 0.72 ALDH1A1 (0.33) PDE10A
SCHEMBL1610318 0.72 ALDH1A1 (0.33) PDE10A

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 3 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

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 1704/4885VNN1 2057/4885PDE2A 1196/4885

“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.