SCHEMBL1609489

SCHEMBL1609489

CCCN(Cc1ccc(C)cc1)c1nc(C2CC2)nc(C(=O)OC)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.35
AGTR2 P50052 3/20 0.35
P2RX3 P56373 4/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NTSR1 P30989 1/20 0.33
PDE10A Q9Y233 2/20 0.33
CHRM3 P20309 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
IDO1 P14902 1/20 0.33
LTC4S Q16873 1/20 0.33
CRHR1 P34998 1/20 0.32
RORC P51449 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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 0.91 PDE4A (0.39) AGTR1AGTR2ALDH1A1SMN1; SMN2PDE10A
SCHEMBL1609421 0.86 PDE10A (0.43) P2RX3ALDH1A1NPSR1SMN1; SMN2NTSR1
SCHEMBL1609945 0.85 PDE4A (0.38) AGTR1AGTR2PDE10ACHRM3PDE4A
SCHEMBL1609980 0.83 CHRM3 (0.43) ALDH1A1NPSR1SMN1; SMN2PDE10ACHRM3
SCHEMBL1609557 0.83 CNR2 (0.34) CNR1CNR2ALDH1A1LTC4SHRH3
SCHEMBL12712701 0.83 CHRM3 (0.41) ALDH1A1SMN1; SMN2PDE10ACHRM3PDE4A
SCHEMBL1610386 0.82 L3MBTL1 (0.39) ALDH1A1SMN1; SMN2PDE10ACHRM3PDE4A
SCHEMBL1609736 0.82 PDE10A (0.40) ALDH1A1NPSR1SMN1; SMN2PDE10ACHRM3
SCHEMBL1611310 0.82 TP53 (0.36) ALDH1A1SMN1; SMN2NTSR1RORCHSD17B10
SCHEMBL12713186 0.82 DHODH (0.36) ALDH1A1NPSR1SMN1; SMN2PDE10A

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 AGTR1 2276/4885AGTR2 2173/4885P2RX3 566/4885

“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.