SCHEMBL1609969

SCHEMBL1609969

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE10A Q9Y233 1/20 0.37
ALOX5 P09917 1/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.33
CYP1A2 P05177 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 2/20 0.33
AGTR1 P30556 2/20 0.33
AGTR2 P50052 2/20 0.33
HPGD P15428 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33

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
SCHEMBL1609980 0.91 CHRM3 (0.43) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL1610486 0.91 SMN1; SMN2 (0.34) ALOX5ALDH1A1CYP1A2SMN1; SMN2
SCHEMBL1610169 0.91 CHRM3 (0.37) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL12712701 0.88 CHRM3 (0.41) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL1609785 0.87 CHRM3 (0.40) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL1609999 0.87 ALOX5 (0.34) PDE4AALOX5TSHRMAPK1ALDH1A1
SCHEMBL12713234 0.86 PDE4A (0.39) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL1609211 0.86 CHRM3 (0.39) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL1609106 0.85 TRPM8 (0.37) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL1609945 0.85 PDE4A (0.38) CHRM3PDE4APDE4BPDE4CPDE4D

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 CHRM3 2705/4885PDE4A 1115/4885PDE4B 1132/4885

“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.