SCHEMBL16633519

SCHEMBL16633519

CCC(O)CN(Cc1ccccc1)CC(O)CC

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
NPC1 O15118 1/20 0.48
KDM4E B2RXH2 1/20 0.46
CNR2 P34972 1/20 0.46
TSHR P16473 5/20 0.44
RECQL P46063 1/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 2/20 0.43
GAA P10253 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TRPA1 O75762 1/20 0.43
DNM1 Q05193 1/20 0.42
LMNA P02545 2/20 0.42
AOC3 Q16853 1/20 0.41

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
SCHEMBL12126902 0.96 POLB (0.56) POLBNPC1KDM4ECNR2TSHR
SCHEMBL8284315 0.96 POLB (0.56) POLBNPC1KDM4ECNR2TSHR
SCHEMBL2310165 0.93 TSHR (0.54) POLBNPC1KDM4ECNR2TSHR
SCHEMBL27415006 0.93 POLB (0.54) POLBNPC1KDM4ECNR2TSHR
SCHEMBL7088913 0.93 POLB (0.66) POLBNPC1KDM4ECNR2TSHR
SCHEMBL27414989 0.90 POLB (0.51) POLBNPC1KDM4ECNR2TSHR
SCHEMBL7813375 0.89 POLB (0.49) POLBNPC1KDM4ECNR2TSHR
SCHEMBL2228445 0.88 ALDH1A1 (0.58) POLBNPC1KDM4ETSHRALDH1A1
SCHEMBL6994848 0.87 POLB (0.49) POLBNPC1KDM4EALDH1A1MAPT
SCHEMBL21936369 0.86 POLB (0.53) POLBNPC1KDM4ECNR2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-RE47193-E1 Selectively substituted quinoline compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-01-08 US disclosed
US-20180354939-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-12-13 US disclosed
US-10087174-B2 Selectively substituted quinoline compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-10-02 US disclosed
US-20180030045-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-02-01 US disclosed
US-20160326161-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-11-10 US disclosed
US-9428495-B2 Selectively substituted quinoline compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-08-30 US disclosed
US-20150105370-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-16 US 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 (5 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-10087174-B2 Selectively substituted quinoline compounds SSB, TLR7, TLR8 POLB 2682/4885NPC1 3497/4885KDM4E 562/4885
US-20180030045-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 POLB 2682/4885NPC1 3497/4885KDM4E 562/4885
US-20180354939-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 POLB 2435/4885NPC1 3634/4885KDM4E 541/4885
US-20160326161-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 POLB 2682/4885NPC1 3497/4885KDM4E 562/4885
US-20150105370-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 POLB 2682/4885NPC1 3497/4885KDM4E 562/4885

“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.