SCHEMBL1609226

SCHEMBL1609226

COC(=O)c1nc(C2CC2)nc(NC(C)C(O)c2ccc(O)cc2)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.38
ADRB3 P13945 5/20 0.32
NPBWR1 P48145 1/20 0.32
ADRB2 P07550 2/20 0.32
LMNA P02545 2/20 0.32
HIF1A Q16665 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
OPRM1 P35372 2/20 0.32
CYP2D6 P10635 1/20 0.32
GALR3 O60755 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRA1A P35348 1/20 0.32
OPRK1 P41145 1/20 0.32
SLC6A3 Q01959 1/20 0.32
PDE2A O00408 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
P2RX3 P56373 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
SCHEMBL12713157 0.91 PDE10A (0.38) PDE10ALMNASLC6A4CYP2D6ADRA1A
SCHEMBL12713170 0.91 PDE10A (0.38) PDE10ALMNASLC6A4CYP2D6ADRA1A
SCHEMBL13769064 0.91 PDE10A (0.38) PDE10ALMNASLC6A4CYP2D6ADRA1A
SCHEMBL1609921 0.91 PDE10A (0.38) PDE10ALMNASLC6A4CYP2D6ADRA1A
SCHEMBL1609853 0.82 ALDH1A1 (0.36) PDE10AADRB3ADRB2HIF1AADRB1
SCHEMBL1609803 0.81 PDE10A (0.50) PDE10ASLC6A3PDE2A
SCHEMBL12713129 0.80 PDE10A (0.37) PDE10ALMNASLC6A3
SCHEMBL12713120 0.80 PDE10A (0.37) PDE10ALMNASLC6A3
SCHEMBL12712859 0.80 PDE10A (0.52) PDE10APDE2AP2RX3
SCHEMBL12712873 0.80 PDE10A (0.52) PDE10APDE2AP2RX3

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 PDE10A 1704/4885ADRB3 2579/4885NPBWR1 1713/4885

“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.