SCHEMBL4969209

SCHEMBL4969209

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

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 4/20 0.33
CPB2 Q96IY4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ADORA2A P29274 2/20 0.32
ADORA2B P29275 2/20 0.32
TRPA1 O75762 1/20 0.31
ELOVL1 Q9BW60 4/20 0.31
TLR7 Q9NYK1 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC5A1 P13866 2/20 0.30
CYP11B2 P19099 1/20 0.30
RIPK2 O43353 1/20 0.30

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
SCHEMBL15363434 0.87 ADORA2A (0.33) SLC6A9ADORA2AADORA2BELOVL1HTR2A
SCHEMBL15363372 0.85 SLC6A9 (0.34) SLC6A9CPB2LMNAADORA2AADORA2B
SCHEMBL15975598 0.84 SLC6A9 (0.33) SLC6A9CPB2ADORA2AADORA2BELOVL1
SCHEMBL14904682 0.83 SLC6A9 (0.34) SLC6A9TRPA1ELOVL1HTR2ARIPK2
SCHEMBL18019519 0.83 SLC6A9 (0.34) SLC6A9CPB2ADORA2AADORA2BELOVL1
SCHEMBL17535284 0.78 ELOVL1 (0.34) SLC6A9TRPA1ELOVL1SLC5A1CYP11B2
SCHEMBL4975962 0.77 ELOVL1 (0.36) SLC6A9ALDH1A1LMNACYP3A4CYP2D6
SCHEMBL4966222 0.75 SLC6A9 (0.34) SLC6A9ADORA2AADORA2BELOVL1
SCHEMBL2690274 0.75 SLC6A9 (0.31) SLC6A9ELOVL1TLR7
SCHEMBL14892254 0.74 KCNQ4 (0.32) SLC6A9CPB2ELOVL1

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
WO-2012061290-A2 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2012-05-10 WO disclosed
US-20120110702-A1 Pesticidal Compositions and Processes Related Thereto CORTEVA AGRISCIENCE LLC 2012-05-03 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-20120110702-A1 Pesticidal Compositions and Processes Related Thereto ACHE, DDT, PTMS SLC6A9 1207/4885CPB2 222/4885ALDH1A1 1073/4885

“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.