SCHEMBL1609945

SCHEMBL1609945

CCCCN(Cc1ccccc1)c1nc(C2CC2)nc(C(=O)OC)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.38
PDE4B Q07343 3/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38
CHRM3 P20309 1/20 0.38
PDE10A Q9Y233 1/20 0.37
TSHR P16473 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
AGTR1 P30556 3/20 0.35
AGTR2 P50052 3/20 0.35
MAPK1 P28482 1/20 0.35
CRHR1 P34998 1/20 0.34
CMKLR1 Q99788 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LIMK1 P53667 1/20 0.34
LIMK2 P53671 1/20 0.34
LPAR1 Q92633 1/20 0.34

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
SCHEMBL12713234 0.94 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DCHRM3
SCHEMBL1609980 0.91 CHRM3 (0.43) PDE4APDE4BPDE4CPDE4DCHRM3
SCHEMBL12712701 0.90 CHRM3 (0.41) PDE4APDE4BPDE4CPDE4DCHRM3
SCHEMBL1609785 0.87 CHRM3 (0.40) PDE4APDE4BPDE4CPDE4DCHRM3
SCHEMBL1610386 0.87 L3MBTL1 (0.39) PDE4APDE4BPDE4CPDE4DCHRM3
SCHEMBL1609407 0.87 ALDH1A1 (0.38) PDE4APDE4BPDE4CPDE4DCHRM3
SCHEMBL1610169 0.87 CHRM3 (0.37) PDE4APDE4BPDE4CPDE4DCHRM3
SCHEMBL1609211 0.86 CHRM3 (0.39) PDE4APDE4BPDE4CPDE4DCHRM3
SCHEMBL1609489 0.85 AGTR1 (0.35) PDE4APDE4BPDE4CPDE4DCHRM3
SCHEMBL1609969 0.85 CHRM3 (0.38) PDE4APDE4BPDE4CPDE4DCHRM3

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 PDE4A 1115/4885PDE4B 1132/4885PDE4C 1542/4885

“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.