SCHEMBL1609815

SCHEMBL1609815

COC(=O)c1nc(C2CC2)nc(N[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)OC)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.39
CYP3A4 P08684 2/20 0.39
NR1I2 O75469 1/20 0.39
ADRB1 P08588 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
CHRM3 P20309 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
OPRM1 P35372 1/20 0.39
DRD3 P35462 1/20 0.39
HTR2B P41595 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL1609813 1.00 USP2 (0.39) USP2CYP3A4NR1I2ADRB1HTR1A
SCHEMBL12712973 0.88 PDE10A (0.37) P2RX3POLBNOS3NOS1NOS2
SCHEMBL1609302 0.86 PDE10A (0.43) CYP3A4CYP2D6CYP2C9POLBNOS3
SCHEMBL1609822 0.84 PDE10A (0.45) CYP3A4CYP1A2CYP2D6POLBHTT
SCHEMBL1609177 0.83 NOS2 (0.42) P2RX3CDK2NOS3NOS1NOS2
SCHEMBL1610877 0.83 NOS2 (0.38) SLC6A3PDE4DP2RX3CDK2NOS2
SCHEMBL1610879 0.83 NOS2 (0.38) SLC6A3PDE4DP2RX3CDK2NOS2
SCHEMBL12712978 0.82 P2RX3 (0.39) P2RX3
SCHEMBL1609304 0.82 NPSR1 (0.42) CHRM3CDK2KMT2A
SCHEMBL1609306 0.82 NPSR1 (0.42) CHRM3CDK2KMT2A

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
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 USP2 2152/4885CYP3A4 286/4885NR1I2 3289/4885

“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.