SCHEMBL2625080

SCHEMBL2625080

COCCOCCCCCCC(=O)C[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)C[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccncc1)C(=O)C[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 15/20 0.55
▸ NMUR1 Q9HB89 14/20 0.55
▸ GNRHR P30968 2/20 0.48
▸ DRD1 P21728 1/20 0.48
▸ OPRM1 P35372 1/20 0.48
▸ MRGPRX2 Q96LB1 1/20 0.48
▸ ABCB11 O95342 1/20 0.48
▸ 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
SCHEMBL2625082 0.96 NMUR2 (0.59) NMUR2NMUR1GNRHRDRD1OPRM1
SCHEMBL2625090 0.90 NMUR2 (0.53) NMUR2NMUR1KISS1R
SCHEMBL2625064 0.89 NMUR2 (0.64) NMUR2NMUR1ABCB11
SCHEMBL2628471 0.82 NMUR2 (0.57) NMUR2NMUR1OPRM1
SCHEMBL2628464 0.80 NMUR2 (0.54) NMUR2NMUR1
SCHEMBL2628467 0.80 NMUR2 (0.55) NMUR2NMUR1OPRM1
SCHEMBL2625069 0.80 NMUR2 (0.44) NMUR2NMUR1KISS1R
SCHEMBL2625075 0.79 NMUR2 (0.53) NMUR2NMUR1KISS1R
SCHEMBL2628469 0.79 NMUR2 (0.54) NMUR2NMUR1
SCHEMBL2628468 0.79 NMUR2 (0.53) 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 200/4885GNRHR 1361/4885

“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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