SCHEMBL3754554

SCHEMBL3754554

CC(C)(C)OC(=O)N1CCC(N[C@@H](CNC2CCOCC2)c2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.48
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
STS P08842 1/20 0.45
USP30 Q70CQ3 2/20 0.44
RECQL P46063 1/20 0.43
CCR8 P51685 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
MMP13 P45452 1/20 0.42
TGFBR1 P36897 2/20 0.42
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL5575420 1.00 GPR119 (0.48) GPR119ALDH1A1NPC1MAPTMAPK1
SCHEMBL4206072 0.90 ATM (0.42) GPR119ALDH1A1NPC1MAPTMAPK1
SCHEMBL5576515 0.90 EPHX1 (0.53) GPR119ALDH1A1NPC1MAPTMAPK1
SCHEMBL4597782 0.85 CYP3A4 (0.42) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5572863 0.84 ALDH1A1 (0.55) GPR119ALDH1A1NPC1MAPTMAPK1
SCHEMBL6505071 0.83 ALDH1A1 (0.55) GPR119ALDH1A1NPC1MAPTMAPK1
SCHEMBL5576143 0.83 ALDH1A1 (0.55) GPR119ALDH1A1NPC1MAPTMAPK1
SCHEMBL4597864 0.83 ALDH1A1 (0.55) GPR119ALDH1A1NPC1MAPTMAPK1
SCHEMBL3759966 0.82 CCR5 (0.40) GPR119
SCHEMBL22467690 0.82 KDM4E (0.55) GPR119ALDH1A1NPC1MAPTMAPK1

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-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2010-11-25 US disclosed
US-7790747-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2010-09-07 US disclosed
EP-1942890-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2009-08-26 EP disclosed
US-20090099205-A1 Chemokine receptor binding compounds GENZYME CORPORATION 2009-04-16 US disclosed
EP-1942890-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2008-07-16 EP disclosed
WO-2006138350-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-12-28 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 (2 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-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS CCR5, CXCR3, CCL5 GPR119 207/4885ALDH1A1 3358/4885NPC1 542/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 GPR119 207/4885ALDH1A1 3358/4885NPC1 542/4885

“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.