SCHEMBL5551658

SCHEMBL5551658

CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(C)C

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 6/20 0.58
MMP1 P03956 2/20 0.58
NMUR2 Q9GZQ4 6/20 0.55
NMUR1 Q9HB89 6/20 0.55
OPRM1 P35372 7/20 0.51
OPRK1 P41145 6/20 0.51
MMP2 P08253 2/20 0.51
OPRD1 P41143 2/20 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
SCHEMBL14599754 1.00 MMP3 (0.58) MMP3MMP1NMUR2NMUR1OPRM1
SCHEMBL14599760 0.88 OPRM1 (0.51) MMP3MMP1NMUR2NMUR1OPRM1
SCHEMBL5555575 0.88 OPRM1 (0.51) MMP3MMP1NMUR2NMUR1OPRM1
SCHEMBL14599758 0.85 MMP3 (0.53) MMP3MMP1NMUR2NMUR1OPRM1
SCHEMBL5556497 0.82 MMP3 (0.57) MMP3MMP1NMUR2NMUR1OPRM1
SCHEMBL30629127 0.82 NMUR2 (0.63) NMUR2NMUR1OPRM1OPRK1OPRD1
SCHEMBL5551661 0.81 MMP3 (0.52) MMP3MMP1NMUR2NMUR1OPRM1
SCHEMBL6510374 0.80 MMP3 (0.61) MMP3MMP1NMUR2NMUR1OPRM1
SCHEMBL29366560 0.80 NMUR2 (0.59) NMUR2NMUR1OPRM1OPRK1OPRD1
SCHEMBL30678863 0.80 NMUR2 (0.56) MMP3MMP1NMUR2NMUR1OPRM1

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-20070014721-A1 Hydrazide conjugates as imaging agents LANTHEUS MEDICAL IMAGING, INC. 2007-01-18 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-20070014721-A1 Hydrazide conjugates as imaging agents CA14, CA13, CA1 MMP3 540/4885MMP1 179/4885NMUR2 2254/4885

“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.