SCHEMBL14479388

SCHEMBL14479388

C#CCC(NC(=O)CCCCCCCCCCCCCCC)C(=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 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 9/20 0.56
▸ NPY4R P50391 7/20 0.55
▸ NPY5R Q15761 6/20 0.55
▸ NPY1R P25929 5/20 0.55
▸ NPY2R P49146 3/20 0.55
▸ GRIA1 P42261 1/20 0.51
▸ TFPI P10646 1/20 0.49
▸ KISS1R Q969F8 1/20 0.49

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
SCHEMBL17166398 0.95 NPY4R (0.52) NPBWR1NPY4RNPY5RNPY1RNPY2R
SCHEMBL14479432 0.92 GRIA1 (0.53) GRIA1
SCHEMBL14479330 0.90 NPY4R (0.59) NPBWR1NPY4RNPY5RNPY1RNPY2R
SCHEMBL14479420 0.90 NPY4R (0.59) NPBWR1NPY4RNPY5RNPY1RNPY2R
SCHEMBL14479410 0.90 NPY4R (0.56) NPBWR1NPY4RNPY5RNPY1RNPY2R
SCHEMBL14479354 0.86 GRIA1 (0.56) GRIA1
SCHEMBL14479400 0.85 NPBWR1 (0.54) NPBWR1NPY4RNPY5RNPY1RNPY2R
SCHEMBL17166409 0.84 NPY4R (0.56) NPBWR1NPY4RNPY5RNPY1RNPY2R
SCHEMBL14479320 0.84 GRIA1 (0.55) NPY4RNPY5RNPY1RNPY2RGRIA1
SCHEMBL14479395 0.84 GRIA1 (0.55) NPY4RNPY5RNPY1RNPY2RGRIA1

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 NPBWR1 2853/4885NPY4R 2868/4885NPY5R 3514/4885

“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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