SCHEMBL1608975

SCHEMBL1608975

COC(=O)c1nc(C2CC2)nc(NCc2cc(F)cc(C(F)(F)F)c2)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 9/20 0.39
CYP3A4 P08684 3/20 0.38
HTT P42858 1/20 0.38
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
CETP P11597 1/20 0.35
TERT O14746 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PTGES O14684 1/20 0.35

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
SCHEMBL1609481 0.94 PDE10A (0.41) PDE10ACYP3A4
SCHEMBL1610158 0.91 PDE10A (0.43) PDE10ACYP3A4
SCHEMBL12712783 0.87 PDE10A (0.43) PDE10ACYP3A4
SCHEMBL1609822 0.87 PDE10A (0.45) PDE10ACYP3A4HTT
SCHEMBL1609710 0.86 PDE10A (0.47) PDE10A
SCHEMBL1610245 0.83 PDE10A (0.47) PDE10A
SCHEMBL1609715 0.83 PDE10A (0.48) PDE10ACYP3A4HTTALDH1A1
SCHEMBL12712782 0.82 PDE10A (0.46) PDE10ACYP3A4
SCHEMBL12712766 0.82 PDE10A (0.49) PDE10ACYP3A4
SCHEMBL1609666 0.80 L3MBTL1 (0.40) PDE10ACYP3A4ALDH1A1

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
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 PDE10A 1704/4885CYP3A4 286/4885HTT 1789/4885

“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.