SCHEMBL18335114

SCHEMBL18335114

O=C(c1ccccc1C(F)(F)F)N(CC(O)c1ncc(C#CC2CC2)cc1Cl)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 9/20 0.37
▸ SLC6A4 P31645 9/20 0.37
▸ SLC6A3 Q01959 6/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ CHRM4 P08173 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CHRM5 P08912 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ PTGES O14684 3/20 0.32
▸ EGLN1 Q9GZT9 1/20 0.32
▸ CTNNB1 P35222 1/20 0.31
▸ WNT3A P56704 1/20 0.31
▸ SLC6A9 P48067 1/20 0.31
▸ SLC6A5 Q9Y345 1/20 0.31
▸ RBP4 P02753 1/20 0.31
▸ SCD O00767 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
SCHEMBL18335151 0.89 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3KCNH2CHRM4
SCHEMBL18335091 0.77 P2RX7 (0.41) PTGESEGLN1SCD
SCHEMBL18335107 0.72 EGLN1 (0.39) KCNH2PTGESEGLN1
SCHEMBL18335060 0.72 PTGES (0.37) CYP3A4PTGESEGLN1
SCHEMBL18335072 0.69 P2RX7 (0.38) EGLN1
SCHEMBL18335121 0.66 EGLN1 (0.38) EGLN1
SCHEMBL18335074 0.64 MEN1 (0.46) SLC6A2SLC6A4SLC6A3CYP3A4PTGES
SCHEMBL16463395 0.63 SLC6A4 (0.53) SLC6A2SLC6A4SLC6A3KCNH2CHRM4
SCHEMBL18335139 0.63 EGLN1 (0.37) PTGESEGLN1
SCHEMBL4425267 0.63 KMT2A (0.47) CYP3A4PTGES

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 SLC6A2 3597/4885SLC6A4 3414/4885SLC6A3 1784/4885
US-20170008847-A1 ALKYNYL PYRIDINE-SUBSTITUTED AMIDE COMPOUND AND PESTICIDE CHRM1, CHRM2, CHRM3 SLC6A2 3597/4885SLC6A4 3414/4885SLC6A3 1784/4885

“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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