SCHEMBL1610091

SCHEMBL1610091

COC(=O)c1nc(C2CC2)nc(N[C@H](C)c2ccc3ccccc3c2)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 15/20 0.46
PDE2A O00408 1/20 0.45
PDE10A Q9Y233 1/20 0.43
P2RX2 Q9UBL9 8/20 0.43
P2RX1 P51575 1/20 0.43
SLC6A3 Q01959 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL1610170 0.89 PDE10A (0.50) PDE10A
SCHEMBL1610338 0.87 ROCK2 (0.47) PDE10AMEN1KMT2A
SCHEMBL1610339 0.87 ROCK2 (0.47) PDE10AMEN1KMT2A
SCHEMBL1610839 0.87 PDE10A (0.48) P2RX3PDE2APDE10AMEN1KMT2A
SCHEMBL1610842 0.87 PDE10A (0.48) P2RX3PDE2APDE10AMEN1KMT2A
SCHEMBL1609803 0.86 PDE10A (0.50) PDE2APDE10ASLC6A3
SCHEMBL12712871 0.86 PDE10A (0.46) PDE10A
SCHEMBL12712886 0.86 PDE10A (0.46) PDE10A
SCHEMBL12712859 0.85 PDE10A (0.52) P2RX3PDE2APDE10A
SCHEMBL12712873 0.85 PDE10A (0.52) P2RX3PDE2APDE10A

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 P2RX3 566/4885PDE2A 1196/4885PDE10A 1704/4885

“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.