SCHEMBL1610619

SCHEMBL1610619

COC(=O)c1nc(C2CC2)nc(N(Cc2ccc(Cl)cc2)c2ccccc2)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.37
PDE4D Q08499 3/20 0.37
CHRM3 P20309 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4C Q08493 1/20 0.37
SLC6A3 Q01959 1/20 0.35
PDE10A Q9Y233 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
DRD2 P14416 1/20 0.35
TBXA2R P21731 1/20 0.35
MAPT P10636 3/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
TP53 P04637 1/20 0.34
P2RX7 Q99572 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
CXCR3 P49682 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
SCHEMBL1610616 0.96 PDE4B (0.39) PDE4BPDE4DCHRM3PDE4APDE4C
SCHEMBL12712923 0.89 SMN1; SMN2 (0.41) PDE4BPDE4DCHRM3PDE4APDE4C
SCHEMBL1609829 0.85 TSHR (0.41) PDE4BPDE4DCHRM3PDE4APDE4C
SCHEMBL1608906 0.85 CRHR1 (0.39) PDE4BPDE4DCHRM3PDE4APDE4C
SCHEMBL1609979 0.85 PDE4B (0.42) PDE4BPDE4DCHRM3PDE4APDE4C
SCHEMBL1609980 0.83 CHRM3 (0.43) PDE4BPDE4DCHRM3PDE4APDE4C
SCHEMBL1610751 0.83 LTC4S (0.42) SLC6A3ALDH1A1
SCHEMBL1609211 0.81 CHRM3 (0.39) PDE4BPDE4DCHRM3PDE4APDE4C
SCHEMBL12712701 0.81 CHRM3 (0.41) PDE4BPDE4DCHRM3PDE4APDE4C
SCHEMBL1609785 0.80 CHRM3 (0.40) PDE4BPDE4DCHRM3PDE4APDE4C

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 1 patent. 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

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 PDE4B 1132/4885PDE4D 2126/4885CHRM3 2705/4885

“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.