SCHEMBL20626228

SCHEMBL20626228

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

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ VHL P40337 2/20 0.52
▸ BDKRB2 P30411 2/20 0.44
▸ OPRM1 P35372 3/20 0.44
▸ OPRD1 P41143 2/20 0.44
▸ ACE2 Q9BYF1 1/20 0.43
▸ 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 SCHEMBL20547993 0.93 VHL (0.49) VHLBDKRB2OPRM1OPRD1NMUR2
Rotigaptide SCHEMBL20547994 0.93 VHL (0.49) VHLBDKRB2OPRM1OPRD1NMUR2
Rotigaptide SCHEMBL29359046 0.93 VHL (0.49) VHLBDKRB2OPRM1OPRD1NMUR2
SCHEMBL31327461 0.90 VHL (0.54) VHLBDKRB2OPRM1OPRD1ACE2
SCHEMBL19381802 0.87 VHL (0.47) VHLBDKRB2OPRM1OPRD1
SCHEMBL16925996 0.87 VHL (0.47) VHLBDKRB2OPRM1OPRD1
SCHEMBL25008061 0.75 OPRM1 (0.54) VHLOPRM1NMUR2NMUR1
SCHEMBL29871823 0.75 OPRM1 (0.54) VHLOPRM1
SCHEMBL29833847 0.74 OPRM1 (0.53) OPRM1OPRD1
SCHEMBL29373854 0.74 ACE (0.62) OPRM1ACE2

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-10172848-B2 Gap junction-enhancing agents for treatment of necrotizing enterocolitis and inflammatory bowel disease University of Pittsburgh—Of the Commonwealth Systems of Higher Education (US) 2019-01-08 — — 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-10172848-B2 Gap junction-enhancing agents for treatment of necrotizing enterocolitis and inflammatory bowel disease GJA1, VIP, GJB2 VHL 3141/4885BDKRB2 755/4885OPRM1 3353/4885

“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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