SCHEMBL16925996

SCHEMBL16925996

CC(NC(=O)CNC(=O)C1CC(O)CN1C(=O)C1CCCN1C(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CN)C(=O)NCC(N)=O

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ VHL P40337 1/20 0.47
▸ OPRD1 P41143 4/20 0.45
▸ OPRM1 P35372 2/20 0.45
▸ BDKRB2 P30411 3/20 0.44
▸ NTSR1 P30989 1/20 0.42

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
SCHEMBL19381802 1.00 VHL (0.47) VHLOPRD1OPRM1BDKRB2NTSR1
Rotigaptide SCHEMBL20547994 0.94 VHL (0.49) VHLOPRD1OPRM1BDKRB2
Rotigaptide SCHEMBL20547993 0.94 VHL (0.49) VHLOPRD1OPRM1BDKRB2
Rotigaptide SCHEMBL29359046 0.94 VHL (0.49) VHLOPRD1OPRM1BDKRB2
SCHEMBL20626228 0.87 VHL (0.52) VHLOPRD1OPRM1BDKRB2
SCHEMBL19381670 0.81 VHL (0.52) VHLOPRD1OPRM1
SCHEMBL29373528 0.81 VHL (0.52) VHLOPRD1OPRM1
SCHEMBL16925966 0.81 VHL (0.52) VHLOPRD1OPRM1
SCHEMBL31327461 0.80 VHL (0.54) VHLOPRD1OPRM1BDKRB2
SCHEMBL20782464 0.80 F2 (0.37) VHLOPRD1OPRM1

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-9764048-B2 Targeted molecular imaging probe and method for in vivo molecular imaging SHEN BAOZHONG (CN) 2017-09-19 — — US disclosed
US-20150202335-A1 TARGETED MOLECULAR IMAGING PROBE AND METHOD FOR IN VIVO MOLECULAR IMAGING SHEN BAOZHONG (CN) 2015-07-23 — — 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-20150202335-A1 TARGETED MOLECULAR IMAGING PROBE AND METHOD FOR IN VIVO MOLECULAR IMAGING GJB2, GJA1, GAP43 VHL 79/4885OPRD1 3801/4885OPRM1 3642/4885

“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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