SCHEMBL1609887

SCHEMBL1609887

CCC(C)C(Nc1nc(C2CC2)nc(C(=O)OC)c1Cl)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 9/20 0.40
MAPK1 P28482 3/20 0.35
TSHR P16473 1/20 0.35
ATP1A1 P05023 1/20 0.34
ATP1B1 P05026 1/20 0.34
ATP1A3 P13637 1/20 0.34
ATP1B2 P14415 1/20 0.34
ATP1A2 P50993 1/20 0.34
ATP1B3 P54709 1/20 0.34
FXYD2 P54710 1/20 0.34
ATP1A4 Q13733 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
IDO1 P14902 1/20 0.34
LPAR2 Q9HBW0 1/20 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

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
SCHEMBL12713120 0.87 PDE10A (0.37) PDE10AMAPK1TSHRALDH1A1SMN1; SMN2
SCHEMBL12713129 0.87 PDE10A (0.37) PDE10AMAPK1TSHRALDH1A1SMN1; SMN2
SCHEMBL1609732 0.87 PDE10A (0.39) PDE10AMAPK1TSHRALDH1A1SMN1; SMN2
SCHEMBL11903080 0.86 PDE10A (0.36) PDE10AMAPK1TSHRALDH1A1SMN1; SMN2
SCHEMBL1610170 0.86 PDE10A (0.50) PDE10AMAPK1TSHRALDH1A1KDM4E
SCHEMBL1609362 0.84 PDE10A (0.40) PDE10AMAPK1TSHRALDH1A1SMN1; SMN2
SCHEMBL1611523 0.83 EGFR (0.39) PDE10AMAPK1TSHRALDH1A1SMN1; SMN2
SCHEMBL1609921 0.83 PDE10A (0.38) PDE10AMAPK1TSHRALDH1A1SMN1; SMN2
SCHEMBL12713157 0.83 PDE10A (0.38) PDE10AMAPK1TSHRALDH1A1SMN1; SMN2
SCHEMBL1609871 0.83 EGFR (0.39) PDE10AMAPK1TSHRALDH1A1SMN1; SMN2

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 PDE10A 1704/4885MAPK1 1418/4885TSHR 533/4885

“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.