SCHEMBL4248486

SCHEMBL4248486

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

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 14/20 0.44
UBE2M P61081 4/20 0.44
DCUN1D1 Q96GG9 4/20 0.44
PGR P06401 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
KCNH2 Q12809 2/20 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
SCHEMBL4240580 0.93 CCR5 (0.44) CCR5UBE2MDCUN1D1PGRCYP2D6
SCHEMBL4242438 0.91 CCR5 (0.52) CCR5UBE2MDCUN1D1PGRCYP2D6
SCHEMBL4248482 0.91 CCR5 (0.41) CCR5UBE2MDCUN1D1PGRCYP2D6
SCHEMBL4242973 0.90 CCR5 (0.53) CCR5UBE2MDCUN1D1PGRCYP2D6
SCHEMBL4236940 0.86 UBE2M (0.46) CCR5UBE2MDCUN1D1PGRCYP2D6
SCHEMBL4242938 0.85 CCR5 (0.41) CCR5UBE2MDCUN1D1PGRCYP2D6
SCHEMBL4586211 0.85 CCR5 (0.43) CCR5UBE2MDCUN1D1PGRCYP2D6
SCHEMBL4236876 0.85 CCR5 (0.48) CCR5KCNH2
SCHEMBL4241358 0.84 CCR5 (0.41) CCR5UBE2MDCUN1D1PGRCYP2D6
SCHEMBL4238957 0.84 CCR5 (0.49) CCR5UBE2MDCUN1D1PGRCYP2D6

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 4 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
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US claimed
US-7491735-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2009-02-17 US disclosed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US 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.