SCHEMBL16633568

SCHEMBL16633568

CC[C@@H]1C[C@H](CC)CN(Cc2ccccc2)C1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.53
SIGMAR1 Q99720 1/20 0.50
ACHE P22303 2/20 0.49
CCR3 P51677 1/20 0.47
MC4R P32245 1/20 0.47
S1PR1 P21453 1/20 0.46
S1PR5 Q9H228 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
GBA1 P04062 1/20 0.45
HRH4 Q9H3N8 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL16633290 1.00 FUCA1 (0.53) FUCA1SIGMAR1ACHECCR3MC4R
SCHEMBL12424596 0.92 FUCA1 (0.56) FUCA1SIGMAR1ACHECCR3MC4R
SCHEMBL24438403 0.90 HRH3 (0.56) FUCA1SIGMAR1ACHECCR3MC4R
SCHEMBL13079120 0.82 CCR3 (0.62) SIGMAR1ACHECCR3
SCHEMBL22435962 0.82 CCR3 (0.62) SIGMAR1ACHECCR3
SCHEMBL12424946 0.82 CCR3 (0.62) SIGMAR1ACHECCR3
SCHEMBL6581251 0.82 LMNA (0.50) SIGMAR1S1PR1S1PR5LMNAGBA1
SCHEMBL63432 0.81 FUCA1 (0.58) FUCA1SIGMAR1CCR3S1PR1S1PR5
SCHEMBL51716 0.81 FUCA1 (0.58) FUCA1SIGMAR1CCR3S1PR1S1PR5
SCHEMBL5369454 0.81 FUCA1 (0.49) FUCA1SIGMAR1ACHECCR3MC4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110105346-B Optionally substituted quinoline compounds 卫材R&D管理有限公司 2023-03-10 CN disclosed
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 FUCA1 2698/4885SIGMAR1 930/4885ACHE 4869/4885
US-20180030045-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 FUCA1 2698/4885SIGMAR1 930/4885ACHE 4869/4885
US-20180354939-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 FUCA1 2711/4885SIGMAR1 1128/4885ACHE 4875/4885
US-20160326161-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 FUCA1 2698/4885SIGMAR1 930/4885ACHE 4869/4885
US-20150105370-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 FUCA1 2698/4885SIGMAR1 930/4885ACHE 4869/4885

“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.