SCHEMBL4248482

SCHEMBL4248482

CC(CC(N)=O)N1CCC(N(Cc2cc(Cl)ccc2F)c2ccc(C(N)=O)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 12/20 0.41
UBE2M P61081 3/20 0.41
DCUN1D1 Q96GG9 3/20 0.41
PGR P06401 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2D6 P10635 2/20 0.41
KCNH2 Q12809 2/20 0.41
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
HTR2A P28223 1/20 0.37

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
SCHEMBL4241358 0.94 CCR5 (0.41) CCR5UBE2MDCUN1D1PGRCYP2C9
SCHEMBL4242432 0.92 CCR5 (0.48) CCR5UBE2MDCUN1D1PGRCYP2C9
SCHEMBL4248486 0.91 CCR5 (0.44) CCR5UBE2MDCUN1D1PGRCYP2C9
SCHEMBL4236874 0.89 CCR5 (0.47) CCR5KCNH2HTR2A
SCHEMBL4238954 0.88 CCR5 (0.48) CCR5PGRCYP2C9CYP2D6KCNH2
SCHEMBL4242936 0.88 CCR5 (0.40) CCR5UBE2MDCUN1D1PGRCYP2C9
SCHEMBL4236938 0.88 UBE2M (0.42) CCR5UBE2MDCUN1D1PGRCYP2C9
SCHEMBL4236049 0.86 UBE2M (0.42) CCR5UBE2MDCUN1D1PGRCYP2C9
SCHEMBL4248423 0.86 PGR (0.40) CCR5UBE2MDCUN1D1PGRCYP2C9
SCHEMBL4236635 0.85 CCR5 (0.50) CCR5UBE2MDCUN1D1KCNH2HTR2A

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 10 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 claimed
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP claimed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP claimed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US claimed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 WO claimed
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 1/4885UBE2M 4562/4885DCUN1D1 3581/4885

“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.