SCHEMBL14620150

SCHEMBL14620150

CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccc4c(c3)OCO4)C(C)(C)C)no[n+]2O)c1O

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 19/20 0.73
CXCR2 P25025 19/20 0.73
CCR6 P51684 1/20 0.48
CCR7 P32248 1/20 0.44

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
SCHEMBL13345261 0.92 CXCR1 (0.72) CXCR1CXCR2CCR6CCR7
SCHEMBL13345053 0.88 CXCR1 (0.71) CXCR1CXCR2CCR6CCR7
SCHEMBL13344788 0.87 CXCR1 (0.80) CXCR1CXCR2CCR6CCR7
SCHEMBL13208144 0.85 CXCR1 (1.00) CXCR1CXCR2
SCHEMBL13207022 0.84 CXCR1 (0.78) CXCR1CXCR2CCR6CCR7
SCHEMBL14639814 0.82 CXCR1 (0.85) CXCR1CXCR2
SCHEMBL13345263 0.81 CXCR2 (0.69) CXCR1CXCR2CCR6CCR7
SCHEMBL14619862 0.81 CXCR1 (0.70) CXCR1CXCR2CCR6CCR7
SCHEMBL14619811 0.80 CXCR2 (0.71) CXCR1CXCR2CCR6CCR7
SCHEMBL13405737 0.80 CXCR1 (0.71) CXCR1CXCR2CCR6CCR7

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-20070004682-A1 Di-substituted oxadiazoles as CXC-chemokine receptor ligands SCHERING CORPORATION 2007-01-04 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-20070004682-A1 Di-substituted oxadiazoles as CXC-chemokine receptor ligands CXCR3, CXCR1, CXCR2 CXCR1 2/4885CXCR2 3/4885CCR6 23/4885

“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.