SCHEMBL16508437

SCHEMBL16508437

CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NC

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 10/20 0.46
▸ NPY5R Q15761 6/20 0.46
▸ NPY1R P25929 5/20 0.46
▸ NPY2R P49146 3/20 0.46
▸ APLNR P35414 2/20 0.44
▸ CTSL P07711 3/20 0.41
▸ CTSS P25774 3/20 0.41
▸ CTSK P43235 3/20 0.41
▸ CTSH P09668 1/20 0.41
▸ KISS1R Q969F8 2/20 0.39
▸ CCKBR P32239 1/20 0.38
▸ GLP1R P43220 1/20 0.38

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
SCHEMBL16508496 0.98 NPY4R (0.45) NPY4RNPY5RNPY1RNPY2RAPLNR
SCHEMBL16508547 0.96 NPY4R (0.49) NPY4RNPY5RNPY1RNPY2RAPLNR
SCHEMBL16508470 0.96 NPY4R (0.54) NPY4RNPY5RNPY1RNPY2RAPLNR
SCHEMBL16508501 0.92 NPY4R (0.57) NPY4RNPY5RNPY1RNPY2RAPLNR
SCHEMBL31148815 0.91 NPY4R (0.49) NPY4RNPY5RNPY1RNPY2RAPLNR
SCHEMBL16508567 0.90 NPY4R (0.54) NPY4RNPY5RNPY1RNPY2RAPLNR
SCHEMBL16508469 0.90 NPY4R (0.56) NPY4RNPY5RNPY1RNPY2RAPLNR
SCHEMBL31632213 0.90 NPY4R (0.47) NPY4RNPY5RNPY1RNPY2RAPLNR
SCHEMBL16507764 0.89 NPY4R (0.54) NPY4RNPY5RNPY1RNPY2RAPLNR
SCHEMBL16508537 0.88 NPY4R (0.49) NPY4RNPY5RNPY1RNPY2RAPLNR

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-20110300167-A1 CXCR5 RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. 2011-12-08 — — 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-20110300167-A1 CXCR5 RECEPTOR COMPOUNDS CXCR5, CXCR1, CCR5 NPY4R 789/4885NPY5R 173/4885NPY1R 467/4885

“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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