Rotigaptide

Rotigaptide

SCHEMBL20547994

CC(=O)NC(Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCC(=O)NC(C)C(=O)NCC(N)=O

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ VHL P40337 1/20 0.49
▸ OPRD1 P41143 4/20 0.45
▸ OPRM1 P35372 2/20 0.45
▸ BDKRB2 P30411 2/20 0.44
▸ NMUR2 Q9GZQ4 1/20 0.43
▸ NMUR1 Q9HB89 1/20 0.43

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
Rotigaptide SCHEMBL29359046 1.00 VHL (0.49) VHLOPRD1OPRM1BDKRB2NMUR2
Rotigaptide SCHEMBL20547993 1.00 VHL (0.49) VHLOPRD1OPRM1BDKRB2NMUR2
SCHEMBL19381802 0.94 VHL (0.47) VHLOPRD1OPRM1BDKRB2
SCHEMBL16925996 0.94 VHL (0.47) VHLOPRD1OPRM1BDKRB2
SCHEMBL20626228 0.93 VHL (0.52) VHLOPRD1OPRM1BDKRB2NMUR2
SCHEMBL31327461 0.86 VHL (0.54) VHLOPRD1OPRM1BDKRB2
SCHEMBL20782464 0.80 F2 (0.37) VHLOPRD1OPRM1
SCHEMBL10624291 0.79 VHL (0.42) VHLOPRD1BDKRB2
SCHEMBL19381804 0.78 VHL (0.51) VHLOPRD1OPRM1
SCHEMBL16925966 0.77 VHL (0.52) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230123615-A1 METHODS OF TREATMENT AND NOVEL CONSTRUCTS INFLAMMX THERAPEUTICS, INC. 2023-04-20 — — US disclosed
US-11466069-B2 Methods of treatment and novel constructs AUCKLAND UNISERVICES LIMITED (NZ) 2022-10-11 — — US disclosed
US-20210107963-A1 METHODS OF TREATMENT AND NOVEL CONSTRUCTS INFLAMMX THERAPEUTICS, INC. 2021-04-15 — — US disclosed
US-20200354404-A1 PEPTIDOMIMETIC AGENTS, SYNTHESIS AND USES THEREOF THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2020-11-12 — — US disclosed
WO-2020227588-A1 PEPTIDOMIMETIC AGENTS, SYNTHESIS AND USES THEREOF THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2020-11-12 — — WO disclosed
CN-111201247-A Therapeutic methods and novel constructs 奥克兰联合服务有限公司 2020-05-26 — — CN disclosed
EP-3615575-A1 METHODS OF TREATMENT AND NOVEL CONSTRUCTS Auckland Uniservices Limited (NZ) 2020-03-04 — — EP disclosed
WO-2018199777-A1 METHODS OF TREATMENT AND NOVEL CONSTRUCTS AUCKLAND UNISERVICES LIMITED (NZ) 2018-11-01 — — WO 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-20200354404-A1 PEPTIDOMIMETIC AGENTS, SYNTHESIS AND USES THEREOF DNPEP, PEPD, ANPEP VHL 48/4885OPRD1 3982/4885OPRM1 1731/4885

“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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