SCHEMBL14032001

SCHEMBL14032001

CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.75
CCR5 P51681 16/20 0.54
CXCR3 P49682 3/20 0.54
CCR7 P32248 2/20 0.54
CXCR5 P32302 1/20 0.54

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
SCHEMBL3459191 0.90 CCR2 (0.60) CCR2CCR5CCR7
SCHEMBL3459193 0.90 CCR2 (0.60) CCR2CCR5CCR7
SCHEMBL3459293 0.89 CCR2 (0.59) CCR2CCR5CXCR3CCR7CXCR5
SCHEMBL3459294 0.89 CCR2 (0.59) CCR2CCR5CXCR3CCR7CXCR5
SCHEMBL6341780 0.88 CCR2 (0.58) CCR2CCR5CXCR3CCR7CXCR5
SCHEMBL3458953 0.87 CCR5 (0.62) CCR2CCR5CCR7
SCHEMBL3458957 0.87 CCR5 (0.62) CCR2CCR5CCR7
SCHEMBL3029085 0.87 CCR2 (0.56) CCR2CCR5CCR7
SCHEMBL6343762 0.87 CCR2 (0.56) CCR2CCR5CCR7
SCHEMBL3032178 0.87 CCR2 (0.56) CCR2CCR5CXCR3CCR7CXCR5

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255345-A1 IRNA Agents Targeting CCR5 Expressing Cells And Uses Thereof ALNYLAM PHARMACEUTICALS, INC. 2008-10-16 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-20080255345-A1 IRNA Agents Targeting CCR5 Expressing Cells And Uses Thereof CCR5, CXCR3, CCR2 CCR2 3/4885CCR5 1/4885CXCR3 2/4885

“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.