SCHEMBL16633850

SCHEMBL16633850

CCCCCCOC[C@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H](C)O1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 12/20 0.44
TLR9 Q9NR96 13/20 0.42
TLR7 Q9NYK1 13/20 0.42
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GRM2 Q14416 1/20 0.35
HRH1 P35367 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
ELANE P08246 1/20 0.34
KDM4E B2RXH2 1/20 0.34
KDM4A O75164 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
HPGD P15428 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
SCHEMBL16664737 0.96 TLR8 (0.46) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL16633888 0.89 TLR8 (0.48) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL16633245 0.88 TLR8 (0.48) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL16633466 0.85 TLR8 (0.50) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL16633662 0.85 TLR8 (0.50) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL25701692 0.85 TLR8 (0.52) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL16632201 0.85 TLR8 (0.45) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL16633109 0.85 TLR8 (0.46) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL16634325 0.84 TLR8 (0.49) TLR8TLR9TLR7ALDH1A1GAA
SCHEMBL24404844 0.84 TLR8 (0.48) TLR8TLR9TLR7ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3626717-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2020-03-25 EP claimed
US-RE47193-E1 Selectively substituted quinoline compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-01-08 US claimed
US-20160326161-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-11-10 US claimed
US-9428495-B2 Selectively substituted quinoline compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-08-30 US claimed
US-20150105370-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-16 US claimed
EP-3995495-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2022-05-11 EP disclosed
EP-3626717-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2020-03-25 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-20160326161-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 TLR8 3/4885TLR9 4/4885TLR7 2/4885
US-20150105370-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 TLR8 3/4885TLR9 4/4885TLR7 2/4885

“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.