SCHEMBL16508447

SCHEMBL16508447

CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 17/20 0.60
▸ NPY1R P25929 11/20 0.60
▸ NPY5R Q15761 10/20 0.60
▸ NPY2R P49146 7/20 0.56
▸ TUBB4A P04350 1/20 0.47
▸ TUBB P07437 1/20 0.47
▸ TUBA3C P0DPH7 1/20 0.47
▸ TUBA1B P68363 1/20 0.47
▸ TUBA4A P68366 1/20 0.47
▸ TUBB4B P68371 1/20 0.47
▸ TUBB3 Q13509 1/20 0.47
▸ TUBB2A Q13885 1/20 0.47
▸ TUBB8 Q3ZCM7 1/20 0.47
▸ TUBA3E Q6PEY2 1/20 0.47
▸ TUBA1A Q71U36 1/20 0.47
▸ TUBA1C Q9BQE3 1/20 0.47
▸ TUBB6 Q9BUF5 1/20 0.47
▸ TUBB2B Q9BVA1 1/20 0.47
▸ TUBB1 Q9H4B7 1/20 0.47
▸ KISS1R Q969F8 1/20 0.46

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
SCHEMBL16508558 0.94 NPY4R (0.60) NPY4RNPY1RNPY5RNPY2R
SCHEMBL16508583 0.91 NPY4R (0.60) NPY4RNPY1RNPY5RNPY2R
SCHEMBL16508561 0.91 NPY4R (0.57) NPY4RNPY1RNPY5RNPY2R
SCHEMBL16508582 0.90 NPY4R (0.57) NPY4RNPY1RNPY5RNPY2R
SCHEMBL16508535 0.90 NPY4R (0.63) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL16508565 0.90 NPY4R (0.65) NPY4RNPY1RNPY5RNPY2R
SCHEMBL12035281 0.88 NPY4R (0.44) NPY4RNPY1RNPY5RNPY2R
SCHEMBL16508441 0.87 NPY4R (0.64) NPY4RNPY1RNPY5RNPY2R
SCHEMBL16508586 0.86 NPY4R (0.64) NPY4RNPY1RNPY5RNPY2R
SCHEMBL16508584 0.85 NPY4R (0.66) NPY4RNPY1RNPY5RNPY2R

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 789/4885NPY1R 467/4885NPY5R 173/4885

“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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