SCHEMBL4240125

SCHEMBL4240125

CC(C)(C)OC(=O)COc1ccc(N(Cc2cccc(C#N)c2)C2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 6/20 0.47
GPR119 Q8TDV5 7/20 0.46
SLC2A1 P11166 1/20 0.44
KCNH2 Q12809 1/20 0.43
MGLL Q99685 1/20 0.43
PGR P06401 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CACNA1B Q00975 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
SCHEMBL4236724 0.86 CCR5 (0.47) CCR5GPR119SLC2A1KCNH2MGLL
SCHEMBL4236508 0.86 GPR119 (0.48) CCR5GPR119KCNH2MGLLPGR
SCHEMBL4242899 0.85 GPR119 (0.51) CCR5GPR119KCNH2
SCHEMBL4242907 0.85 CCR5 (0.48) CCR5GPR119SLC2A1KCNH2PGR
SCHEMBL4587068 0.85 CCR5 (0.48) CCR5KCNH2MEN1SLC6A2SLC6A4
SCHEMBL4242798 0.85 CCR5 (0.56) CCR5
SCHEMBL4240390 0.84 CCR5 (0.47) CCR5GPR119KCNH2MGLLPGR
SCHEMBL4244941 0.84 CCR5 (0.47) CCR5GPR119KCNH2MGLLPGR
SCHEMBL312512 0.83 SLC6A2 (0.50) CCR5GPR119KCNH2MGLLPGR
SCHEMBL312577 0.82 SLC6A2 (0.66) CCR5GPR119PGRCYP2D6CYP2C9

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 CCR5 1/4885GPR119 207/4885SLC2A1 2201/4885

“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.