SCHEMBL2628467

SCHEMBL2628467

CNC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCNCCCOCCOC)Cc1ccccc1)Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NMUR2 Q9GZQ4 16/20 0.55
NMUR1 Q9HB89 15/20 0.55
OPRM1 P35372 2/20 0.48
OPRK1 P41145 2/20 0.48

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
SCHEMBL2628471 0.97 NMUR2 (0.57) NMUR2NMUR1OPRM1OPRK1
SCHEMBL17226105 0.95 NMUR2 (0.59) NMUR2NMUR1OPRM1OPRK1
SCHEMBL2628464 0.94 NMUR2 (0.54) NMUR2NMUR1
SCHEMBL2628469 0.92 NMUR2 (0.54) NMUR2NMUR1
SCHEMBL17226129 0.92 NMUR2 (0.62) NMUR2NMUR1OPRM1OPRK1
SCHEMBL2628468 0.91 NMUR2 (0.53) NMUR2NMUR1
SCHEMBL17226126 0.91 NMUR2 (0.62) NMUR2NMUR1
SCHEMBL2628462 0.91 NMUR2 (0.53) NMUR2NMUR1
SCHEMBL17226113 0.90 NMUR2 (0.58) NMUR2NMUR1
SCHEMBL17226115 0.89 NMUR2 (0.58) NMUR2NMUR1OPRM1OPRK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9175037-B2 Neuromedin U derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-03 US disclosed
US-20120094899-A1 NEUROMEDIN U 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-20120094899-A1 NEUROMEDIN U DERIVATIVE NMUR1, NMUR2, NMBR NMUR2 2/4885NMUR1 1/4885OPRM1 109/4885

“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.