SCHEMBL2711166

SCHEMBL2711166

Nc1cc(N2CCOCC2)ccc1N1CCOCC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 4/20 0.74
S100B P04271 2/20 0.68
ALDH1A1 P00352 6/20 0.61
LMNA P02545 3/20 0.61
KDM4E B2RXH2 2/20 0.61
MAPT P10636 7/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
GAA P10253 3/20 0.54
NPC1 O15118 3/20 0.54
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
POLB P06746 1/20 0.50
THRB P10828 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
ALOX15 P16050 2/20 0.49
RAB9A P51151 2/20 0.49

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
SCHEMBL3535292 0.93 S100B (0.81) LGMNS100BALDH1A1LMNAKDM4E
Hydrochloric Acid SCHEMBL30501398 0.92 S100B (0.78) LGMNS100BALDH1A1LMNAKDM4E
Hydrochloric Acid SCHEMBL20598048 0.91 S100B (0.76) LGMNS100BALDH1A1LMNAKDM4E
SCHEMBL22716931 0.85 LGMN (1.00) LGMNS100BALDH1A1LMNAKDM4E
SCHEMBL904452 0.85 LGMN (0.73) LGMNS100BALDH1A1LMNAKDM4E
SCHEMBL4377045 0.83 MAPT (0.71) LGMNS100BALDH1A1LMNAKDM4E
SCHEMBL31491393 0.83 MAPT (0.71) LGMNS100BALDH1A1LMNAKDM4E
SCHEMBL23043599 0.81 S100B (1.00) LGMNS100BALDH1A1LMNAKDM4E
SCHEMBL3724717 0.80 KDM4E (0.67) LGMNALDH1A1LMNAKDM4EMAPT
SCHEMBL2712193 0.80 LGMN (0.62) LGMNALDH1A1LMNAKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445886-B1 4-AMINOQUINOLINE DERIVATIVES AS PI3K INHIBITORS AMGEN INC (US) 2016-03-30 EP disclosed
EP-2445886-B1 4-AMINOQUINOLINE DERIVATIVES AS PI3K INHIBITORS AMGEN INC (US) 2016-03-30 EP disclosed
US-8940724-B2 Quinoline derivitives and their uses AMGEN INC. (US) 2015-01-27 US disclosed
US-8940724-B2 Quinoline derivitives and their uses AMGEN INC. (US) 2015-01-27 US disclosed
US-8940724-B2 Quinoline derivitives and their uses AMGEN INC. (US) 2015-01-27 US disclosed
EP-2445886-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen, Inc (US) 2012-05-02 EP disclosed
US-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 US disclosed
US-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 US disclosed
US-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 US disclosed
WO-2010151791-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 WO disclosed
WO-2010151791-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 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-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 LGMN 3202/4885S100B 2345/4885ALDH1A1 4025/4885

“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.