SCHEMBL4610073

SCHEMBL4610073

CC(C)(C)OC(=O)N1CCC(N[C@@H](CN2C(=O)c3ccccc3C2=O)c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.51
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
GPR119 Q8TDV5 3/20 0.47
STS P08842 1/20 0.45
CCR8 P51685 1/20 0.44
USP30 Q70CQ3 1/20 0.43
IDO1 P14902 3/20 0.42
TGFBR1 P36897 1/20 0.42

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
SCHEMBL4609206 0.91 BRD4 (0.49) BRD4ALDH1A1L3MBTL1NPC1MAPT
SCHEMBL4597864 0.84 ALDH1A1 (0.55) ALDH1A1L3MBTL1NPC1MAPTMAPK1
SCHEMBL5576143 0.84 ALDH1A1 (0.55) ALDH1A1L3MBTL1NPC1MAPTMAPK1
SCHEMBL6505071 0.84 ALDH1A1 (0.55) ALDH1A1L3MBTL1NPC1MAPTMAPK1
SCHEMBL4610158 0.83 BRD4 (0.51) BRD4ALDH1A1L3MBTL1NPC1MAPT
SCHEMBL5575342 0.83 ALDH1A1 (0.54) ALDH1A1L3MBTL1NPC1MAPTMAPK1
SCHEMBL5572863 0.81 ALDH1A1 (0.55) ALDH1A1L3MBTL1NPC1MAPTMAPK1
SCHEMBL23568961 0.80 GPR119 (0.57) BRD4L3MBTL1KDM4EPKMGPR119
SCHEMBL22849387 0.80 GPR119 (0.57) BRD4L3MBTL1KDM4EPKMGPR119
SCHEMBL22849388 0.80 GPR119 (0.57) BRD4L3MBTL1KDM4EPKMGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101309690-A Chemokine receptor binding compounds ANORMED INC (CA) 2008-11-19 CN disclosed
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 BRD4 605/4885ALDH1A1 3484/4885L3MBTL1 3305/4885

“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.