SCHEMBL4236429

SCHEMBL4236429

CC(C)(C)OC(=O)N1CCC(C(Oc2cccc(Cl)n2)c2ccc(C#N)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.47
CCR5 P51681 4/20 0.44
MGLL Q99685 2/20 0.42
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
PTK2 Q05397 1/20 0.41
STS P08842 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39

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
SCHEMBL4239850 0.91 GPR119 (0.48) GPR119CCR5MGLLNPC1ALDH1A1
SCHEMBL4242235 0.90 MGLL (0.53) GPR119CCR5MGLLNPC1ALDH1A1
SCHEMBL4243472 0.89 GPR119 (0.47) GPR119CCR5MGLLJAK2JAK3
SCHEMBL4240590 0.88 CCR5 (0.48) GPR119CCR5NPC1ALDH1A1MAPT
SCHEMBL4240891 0.86 CCR5 (0.58) GPR119CCR5NPC1ALDH1A1MAPT
SCHEMBL4244414 0.79 CCR5 (0.53) GPR119CCR5NPC1ALDH1A1MAPT
SCHEMBL4245272 0.77 CCR5 (0.44) GPR119CCR5NPC1ALDH1A1MAPT
SCHEMBL4241126 0.77 CCR5 (0.55) GPR119CCR5NPC1ALDH1A1MAPT
SCHEMBL4241131 0.77 CCR5 (0.55) GPR119CCR5NPC1ALDH1A1MAPT
SCHEMBL1532690 0.74 GPR119 (0.55) GPR119STS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491735-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2009-02-17 US disclosed
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP disclosed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP disclosed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US disclosed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 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-20050277670-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 GPR119 207/4885CCR5 1/4885MGLL 2417/4885

“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.