SCHEMBL18335153

SCHEMBL18335153

CC(NC(=O)OC(C)(C)C)C(O)c1ncc(C#CC2CC2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.36
▸ EGLN1 Q9GZT9 1/20 0.35
▸ GAA P10253 1/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ S1PR3 Q99500 1/20 0.33
▸ AAK1 Q2M2I8 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ PTGES O14684 3/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ CHRNB2 P17787 2/20 0.32
▸ CHRNA2 Q15822 2/20 0.32
▸ CHRNB4 P30926 1/20 0.32
▸ CHRNA3 P32297 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32
▸ MMP1 P03956 1/20 0.32
▸ HRH2 P25021 1/20 0.31
▸ HRH1 P35367 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ PDGFRB P09619 1/20 0.31
▸ PDGFRA P16234 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
SCHEMBL18335145 0.89 NR3C1 (0.35) TRPA1EGLN1GAANR3C1S1PR3
SCHEMBL18335078 0.82 EGLN1 (0.39) EGLN1GAAPTGESIRAK4CHRNB2
SCHEMBL18335143 0.82 PTGES (0.39) S1PR3PTGES
SCHEMBL18335169 0.81 EGLN1 (0.40) TRPA1EGLN1AAK1PTGESIRAK4
SCHEMBL18335135 0.81 EGLN1 (0.40) TRPA1EGLN1AAK1PTGESIRAK4
SCHEMBL18335084 0.78 EGLN1 (0.38) EGLN1PTGESIRAK4CHRNB2CHRNA2
SCHEMBL18335062 0.76 EGLN1 (0.41) EGLN1GAACHRNB2CHRNA2CHRNB4
SCHEMBL18335076 0.73 KDM1A (0.40) EGLN1CHRNB2CHRNA2CHRNB4CHRNA3
SCHEMBL18335095 0.72 EGLN1 (0.39) EGLN1PTGESIRAK4CHRNB2CHRNA2
SCHEMBL18335116 0.72 EGLN1 (0.39) EGLN1BACE1PTGESIRAK4CHRNB2

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-10029986-B2 Alkynyl pyridine-substituted amide compound and pesticide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-07-24 — — US disclosed
US-20170008847-A1 ALKYNYL PYRIDINE-SUBSTITUTED AMIDE COMPOUND AND PESTICIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-01-12 — — US disclosed
EP-3109234-A1 ALKYNYLPYRIDINE-SUBSTITUTED AMIDE COMPOUND AND NOXIOUS ORGANISM CONTROL AGENT Nissan Chemical Industries, Ltd. (JP) 2016-12-28 — — EP 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-10029986-B2 Alkynyl pyridine-substituted amide compound and pesticide CHRM1, CHRM2, CHRM3 TRPA1 141/4885EGLN1 1022/4885GAA 4684/4885
US-20170008847-A1 ALKYNYL PYRIDINE-SUBSTITUTED AMIDE COMPOUND AND PESTICIDE CHRM1, CHRM2, CHRM3 TRPA1 141/4885EGLN1 1022/4885GAA 4684/4885

“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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