SCHEMBL16632968

SCHEMBL16632968

CCC1CN(c2ccc(C#N)c3ncccc23)CCO1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 8/20 0.49
TLR9 Q9NR96 8/20 0.46
TLR7 Q9NYK1 8/20 0.46
LRRK2 Q5S007 2/20 0.41
SCN9A Q15858 1/20 0.39
AR P10275 2/20 0.37
KDR P35968 1/20 0.37
SYK P43405 1/20 0.37
KCNH2 Q12809 1/20 0.37
DRD4 P21917 1/20 0.36
NSD2 O96028 1/20 0.36
HRH1 P35367 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
FFAR2 O15552 1/20 0.35

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
SCHEMBL16633561 0.89 TLR8 (0.49) TLR8TLR9TLR7KDRSYK
SCHEMBL16633918 0.89 TLR8 (0.49) TLR8TLR9TLR7LRRK2AR
SCHEMBL16643742 0.89 TLR8 (0.49) TLR8TLR9TLR7LRRK2AR
SCHEMBL16633562 0.89 TLR8 (0.49) TLR8TLR9TLR7KDRSYK
SCHEMBL16634272 0.89 TLR8 (0.49) TLR8TLR9TLR7LRRK2AR
SCHEMBL16633375 0.87 TLR8 (0.55) TLR8TLR9TLR7ARNSD2
SCHEMBL16633861 0.86 TLR8 (0.52) TLR8TLR9TLR7LRRK2AR
SCHEMBL16633689 0.86 TLR8 (0.52) TLR8TLR9TLR7LRRK2AR
SCHEMBL16633921 0.83 TLR8 (0.44) TLR8TLR9TLR7LRRK2AR
SCHEMBL16633923 0.83 TLR8 (0.44) TLR8TLR9TLR7LRRK2AR

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-20160326161-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-11-10 US claimed
EP-3057964-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2016-08-24 EP claimed
WO-2015057659-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-23 WO 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.