SCHEMBL4245309

SCHEMBL4245309

CC(CCN)N1CCC(N(Cc2cccc(F)c2)c2ccc(C#N)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 11/20 0.55
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
DPP4 P27487 2/20 0.41
DPP9 Q86TI2 2/20 0.41
DPP7 Q9UHL4 2/20 0.41
CTSL P07711 1/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
SLC6A4 P31645 1/20 0.40
PAX8 Q06710 2/20 0.40
PGR P06401 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
SCHEMBL4245306 0.86 CCR5 (0.54) CCR5UBE2MDCUN1D1CTSLPAX8
SCHEMBL4242904 0.86 CCR5 (0.57) CCR5DPP4DPP9DPP7SLC6A2
SCHEMBL4236516 0.85 CCR5 (0.59) CCR5DPP4DPP9DPP7SLC6A2
SCHEMBL4243320 0.84 CCR5 (0.49) CCR5
SCHEMBL4242144 0.83 UBE2M (0.43) CCR5UBE2MDCUN1D1
SCHEMBL4240329 0.83 CCR5 (0.66) CCR5UBE2MDCUN1D1SLC6A2SLC6A3
SCHEMBL4238957 0.83 CCR5 (0.49) CCR5UBE2MDCUN1D1PGR
SCHEMBL4244930 0.82 CCR5 (0.68) CCR5UBE2MDCUN1D1SLC6A2SLC6A3
SCHEMBL4240893 0.82 CCR5 (0.56) CCR5SLC6A2SLC6A3SLC6A4PGR
SCHEMBL4239099 0.82 CCR5 (0.60) CCR5SLC6A2SLC6A3SLC6A4

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 11 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
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.