SCHEMBL4242235

SCHEMBL4242235

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.53
GPR119 Q8TDV5 10/20 0.50
CCR5 P51681 1/20 0.47
PGGT1B P53609 1/20 0.43
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
PTK2 Q05397 1/20 0.41
GRM5 P41594 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40

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 0.92 GPR119 (0.48) MGLLGPR119CCR5JAK2JAK3
SCHEMBL4236429 0.90 GPR119 (0.47) MGLLGPR119CCR5JAK2JAK3
SCHEMBL4243472 0.90 GPR119 (0.47) MGLLGPR119CCR5JAK2JAK3
SCHEMBL4244414 0.79 CCR5 (0.53) GPR119CCR5GRM5NPC1ALDH1A1
SCHEMBL3601742 0.78 GPR119 (0.63) MGLLGPR119
SCHEMBL4245272 0.78 CCR5 (0.44) GPR119CCR5NPC1ALDH1A1MAPT
SCHEMBL4241131 0.78 CCR5 (0.55) GPR119CCR5GRM5NPC1ALDH1A1
SCHEMBL4241126 0.78 CCR5 (0.55) GPR119CCR5GRM5NPC1ALDH1A1
SCHEMBL4240590 0.78 CCR5 (0.48) GPR119CCR5NPC1ALDH1A1MAPT
SCHEMBL4240891 0.76 CCR5 (0.58) GPR119CCR5NPC1ALDH1A1MAPT

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 MGLL 2417/4885GPR119 207/4885CCR5 1/4885

“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.