SCHEMBL2774486

SCHEMBL2774486

CC(C)(C)OC(=O)N1CCC(Nc2ccc(F)cn2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
NPC1 O15118 1/20 0.55
MAPT P10636 1/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
RAB9A P51151 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
SYK P43405 1/20 0.54
CCNT1 O60563 1/20 0.54
DDB1 Q16531 1/20 0.53
CRBN Q96SW2 1/20 0.53
JAK1 P23458 2/20 0.51
GPR119 Q8TDV5 4/20 0.51
DNMT3A Q9Y6K1 1/20 0.49
JAK2 O60674 1/20 0.48
USP30 Q70CQ3 1/20 0.47
NOS2 P35228 1/20 0.47
PRMT5 O14744 1/20 0.47
IDH1 O75874 1/20 0.47
IDH2 P48735 1/20 0.47

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
SCHEMBL1032422 0.93 USP30 (0.53) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL1032423 0.93 USP30 (0.53) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL23708495 0.93 USP30 (0.53) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL2419028 0.87 ALDH1A1 (0.57) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL595609 0.87 ALDH1A1 (0.57) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL16976334 0.87 SYK (0.58) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL29716515 0.86 SYK (0.62) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL381341 0.86 SYK (0.62) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL22825511 0.86 ALDH1A1 (0.56) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL3117391 0.86 ALDH1A1 (0.56) ALDH1A1NPC1MAPTMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053933-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-03 US disclosed
EP-2258697-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-12-08 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 (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-20110053933-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE F12, F2, C3AR1 ALDH1A1 655/4885NPC1 3957/4885MAPT 4885/4885

“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.