SCHEMBL4068261

SCHEMBL4068261

CC(C)(C)C(c1ccccc1)N(CCN)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
ATM Q13315 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
PRMT8 Q9NR22 1/20 0.38
GAA P10253 1/20 0.37
AOC3 Q16853 2/20 0.37
GABBR2 O75899 1/20 0.37
GABBR1 Q9UBS5 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
EPHX1 P07099 5/20 0.36
KMT2A Q03164 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL3041121 0.88 ACACB (0.41) KMT2AMEN1SMN1; SMN2
SCHEMBL28068136 0.86 MEN1 (0.40) SLC6A2SLC6A4SLC6A3ATMKDM4E
SCHEMBL17375909 0.81 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3GAAAOC3
SCHEMBL2205842 0.80 KDM1A (0.36) SLC6A2SLC6A4SLC6A3ATMKDM4E
SCHEMBL3326911 0.75 AOC3 (0.44) SLC6A2SLC6A4SLC6A3ATMKDM4E
SCHEMBL7324767 0.72 KCNA5 (0.40) SLC6A2SLC6A4SLC6A3KDM4EL3MBTL1
SCHEMBL28340791 0.71 ATM (0.41) SLC6A2SLC6A4SLC6A3ATMKDM4E
SCHEMBL9514760 0.69 CARM1 (0.47) SLC6A2SLC6A4SLC6A3CARM1PRMT6
SCHEMBL14801949 0.68 CYP2C9 (0.45) KDM4ECARM1PRMT6PRMT8GAA
SCHEMBL20145962 0.66 AOC3 (0.50) SLC6A2SLC6A4SLC6A3AOC3TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47193-E1 Selectively substituted quinoline compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-01-08 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
EP-1653961-A4 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORP (US) 2009-04-01 EP disclosed
EP-1653961-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-05-10 EP disclosed
WO-2005011700-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 WO 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 (1 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-20150105370-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 SLC6A2 752/4885SLC6A4 1161/4885SLC6A3 1340/4885

“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.