SCHEMBL14479330

SCHEMBL14479330

CCCCCCCCCCCCCCCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 6/20 0.59
▸ NPY5R Q15761 5/20 0.59
▸ NPY1R P25929 4/20 0.59
▸ NPY2R P49146 2/20 0.59
▸ NPBWR1 P48145 12/20 0.58
▸ GRIA1 P42261 1/20 0.52

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
SCHEMBL14479420 1.00 NPY4R (0.59) NPY4RNPY5RNPY1RNPY2RNPBWR1
SCHEMBL17166409 0.94 NPY4R (0.56) NPY4RNPY5RNPY1RNPY2RNPBWR1
SCHEMBL17166418 0.94 NPY4R (0.56) NPY4RNPY5RNPY1RNPY2RNPBWR1
SCHEMBL14479448 0.94 NPBWR1 (0.54) NPY4RNPY5RNPY1RNPY2RNPBWR1
SCHEMBL14479400 0.93 NPBWR1 (0.54) NPY4RNPY5RNPY1RNPY2RNPBWR1
SCHEMBL17166408 0.93 NPY4R (0.52) NPY4RNPY5RNPY1RNPY2RNPBWR1
SCHEMBL14479394 0.92 GRIA1 (0.55) NPY4RNPY5RNPY1RNPY2RGRIA1
SCHEMBL14479364 0.91 GRIA1 (0.54) NPY4RNPY5RNPY1RNPY2RNPBWR1
SCHEMBL14479343 0.91 NPBWR1 (0.52) NPY4RNPY5RNPY1RNPY2RNPBWR1
SCHEMBL14479410 0.91 NPY4R (0.56) NPY4RNPY5RNPY1RNPY2RNPBWR1

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-20130005944-A1 CXCR4 Receptor Compounds ACER THERAPEUTICS INC. 2013-01-03 — — 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-20130005944-A1 CXCR4 Receptor Compounds CXCL12, CXCR4, CCR5 NPY4R 2868/4885NPY5R 3514/4885NPY1R 2352/4885

“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.

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