SCHEMBL3256072

SCHEMBL3256072

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nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 0.54
CCR5 P51681 11/20 0.54
KCNH2 Q12809 5/20 0.43

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
SCHEMBL3256079 1.00 CCR2 (0.54) CCR2CCR5KCNH2
SCHEMBL3946503 0.89 CCR2 (0.59) CCR2CCR5KCNH2
SCHEMBL2784973 0.89 CCR2 (0.59) CCR2CCR5KCNH2
SCHEMBL2784969 0.89 CCR2 (0.59) CCR2CCR5KCNH2
SCHEMBL2785217 0.89 CCR2 (0.59) CCR2CCR5KCNH2
SCHEMBL3946507 0.89 CCR2 (0.59) CCR2CCR5KCNH2
SCHEMBL3744325 0.85 CCR2 (0.49) CCR2CCR5KCNH2
SCHEMBL3744320 0.85 CCR2 (0.49) CCR2CCR5KCNH2
SCHEMBL3253123 0.83 CCR2 (0.49) CCR2CCR5KCNH2
SCHEMBL3251001 0.83 CCR2 (0.49) CCR2CCR5KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049519-B9 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2010-12-29 EP disclosed
EP-2049519-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2010-05-12 EP disclosed
US-7687508-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-30 US disclosed
EP-2049519-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Brystol-Myers Squibb Company (US) 2009-04-22 EP disclosed
WO-2008014361-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-31 WO disclosed
US-20080027080-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2008-01-31 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-20080027080-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR5, CXCR4, CCR7 CCR2 5/4885CCR5 1/4885KCNH2 4062/4885

“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.