SCHEMBL2625064

SCHEMBL2625064

COCCOCCCN1CCN(CC(=O)C[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)C[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)C[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)CC1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 17/20 0.64
▸ NMUR1 Q9HB89 16/20 0.64
▸ NPY1R P25929 1/20 0.47
▸ ABCB11 O95342 1/20 0.47

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
SCHEMBL2625082 0.93 NMUR2 (0.59) NMUR2NMUR1ABCB11
SCHEMBL2625075 0.91 NMUR2 (0.53) NMUR2NMUR1NPY1R
SCHEMBL2625080 0.89 NMUR2 (0.55) NMUR2NMUR1ABCB11
SCHEMBL2628463 0.88 NMUR2 (0.63) NMUR2NMUR1NPY1R
SCHEMBL2625090 0.86 NMUR2 (0.53) NMUR2NMUR1
SCHEMBL17226114 0.85 NMUR2 (0.68) NMUR2NMUR1NPY1R
SCHEMBL2628471 0.84 NMUR2 (0.57) NMUR2NMUR1
SCHEMBL2625078 0.83 NMUR2 (0.47) NMUR2NMUR1NPY1R
SCHEMBL2628482 0.82 NMUR2 (0.56) NMUR2NMUR1NPY1R
SCHEMBL2628467 0.82 NMUR2 (0.55) NMUR2NMUR1

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-20120094898-A1 PEPTIDE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 — — 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-20120094898-A1 PEPTIDE DERIVATIVE NPPA, LNPEP, NGLY1 NMUR2 223/4885NMUR1 200/4885NPY1R 411/4885

“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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