SCHEMBL14904682

SCHEMBL14904682

CCN(C(=O)C(C)C)c1cn(-c2cncc(F)c2)nc1C1CC1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 5/20 0.34
ADAMTS5 Q9UNA0 2/20 0.33
TRPA1 O75762 1/20 0.33
MAP3K5 Q99683 1/20 0.32
ELOVL1 Q9BW60 5/20 0.32
HTR2A P28223 3/20 0.32
HTR7 P34969 3/20 0.32
MLYCD O95822 2/20 0.31
RIPK2 O43353 1/20 0.31
KCNH2 Q12809 2/20 0.31
DRD2 P14416 1/20 0.31

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
SCHEMBL15357015 0.87 SLC6A9 (0.35) SLC6A9TRPA1MAP3K5ELOVL1RIPK2
SCHEMBL4969944 0.84 SLC6A9 (0.35) SLC6A9ELOVL1MLYCDKCNH2
SCHEMBL4969209 0.83 SLC6A9 (0.33) SLC6A9TRPA1ELOVL1HTR2ARIPK2
SCHEMBL4968525 0.83 SLC6A9 (0.34) SLC6A9ELOVL1MLYCDKCNH2
SCHEMBL15910343 0.80 SLC6A9 (0.33) SLC6A9ADAMTS5ELOVL1RIPK2KCNH2
SCHEMBL15975711 0.77 SLC6A9 (0.32) SLC6A9ADAMTS5
SCHEMBL17535284 0.76 ELOVL1 (0.34) SLC6A9TRPA1ELOVL1RIPK2
SCHEMBL19135740 0.76 SLC6A9 (0.34) SLC6A9ADAMTS5ELOVL1KCNH2
SCHEMBL14904681 0.75 ELOVL1 (0.32) SLC6A9ELOVL1RIPK2
SCHEMBL15975710 0.74 ELOVL1 (0.32) TRPA1ELOVL1RIPK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130109566-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-05-02 US disclosed
WO-2013062981-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-05-02 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-20130109566-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS SLC6A9 1207/4885ADAMTS5 793/4885TRPA1 107/4885

“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.