SCHEMBL18819873

SCHEMBL18819873

CN(C(=O)OC(C)(C)C)c1ccc(OC(F)(F)F)cn1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ GRIN2B Q13224 1/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ LIPE Q05469 1/20 0.35
▸ TTK P33981 1/20 0.35
▸ RXRA P19793 2/20 0.35
▸ NR1H2 P55055 2/20 0.35
▸ NR1H3 Q13133 2/20 0.35
▸ GPR119 Q8TDV5 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ TRPV1 Q8NER1 3/20 0.34
▸ PDK2 Q15119 1/20 0.34
▸ DHFR P00374 1/20 0.34
▸ CFTR P13569 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
SCHEMBL26828248 0.81 TTK (0.35) MEN1KMT2APAX8TTKGPR119
SCHEMBL7665673 0.79 PAX8 (0.45) MEN1KMT2APAX8LIPERXRA
SCHEMBL20037705 0.79 TTK (0.39) MEN1KMT2APAX8LIPETTK
SCHEMBL26757669 0.78 TTK (0.35) PAX8TTKGPR119PDK2
SCHEMBL31399702 0.78 TTK (0.35) PAX8TTKGPR119PDK2
SCHEMBL1181429 0.77 GBA1 (0.42) MEN1KMT2APAX8TTKGPR119
SCHEMBL29827507 0.77 GBA1 (0.42) MEN1KMT2APAX8TTKGPR119
SCHEMBL56808 0.77 TTK (0.37) PAX8TTKNR1H2GPR119RAB9A
SCHEMBL989173 0.77 TTK (0.37) PAX8TTKGPR119TRPV1
SCHEMBL11968939 0.77 GABRG2 (0.38) PAX8TTKGPR119TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108430986-B Fused bicyclic heterocyclic derivatives as pest control agents 拜耳作物科学股份公司 2021-08-31 — — CN disclosed
US-10550116-B2 Fused bicyclic heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-04 — — US disclosed
US-10550116-B2 Fused bicyclic heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-04 — — US disclosed
US-20180305353-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-10-25 — — US disclosed
EP-3368521-A1 CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PEST CONTROL AGENTS Bayer CropScience Aktiengesellschaft (DE) 2018-09-05 — — EP disclosed
WO-2017072039-A1 CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-05-04 — — 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 (2 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-20180305353-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, BCHE, ACHE MEN1 1507/4885KMT2A 1708/4885GRIN2B 860/4885
US-10550116-B2 Fused bicyclic heterocycle derivatives as pesticides DDT, BCHE, ACHE MEN1 1507/4885KMT2A 1708/4885GRIN2B 860/4885

“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.

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