SCHEMBL16509064

SCHEMBL16509064

CCCCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)NC)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.55
▸ OPRD1 P41143 3/20 0.55
▸ OPRK1 P41145 1/20 0.55
▸ GRIA1 P42261 6/20 0.51
▸ CHRND Q07001 5/20 0.46
▸ CHRNA1 P02708 1/20 0.46
▸ CHRNG P07510 1/20 0.46
▸ CHRNB1 P11230 1/20 0.46

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
SCHEMBL16509109 0.94 OPRD1 (0.53) OPRM1OPRD1OPRK1GRIA1
SCHEMBL16508987 0.93 OPRD1 (0.52) OPRM1OPRD1OPRK1GRIA1
SCHEMBL16509112 0.92 GRIA1 (0.52) OPRM1OPRD1OPRK1GRIA1CHRND
SCHEMBL13519969 0.90 OPRD1 (0.51) OPRM1OPRD1OPRK1GRIA1
SCHEMBL13796086 0.89 OPRD1 (0.55) OPRM1OPRD1OPRK1GRIA1
SCHEMBL17176392 0.86 OPRD1 (0.57) OPRM1OPRD1OPRK1
SCHEMBL16509133 0.85 OPRM1 (0.53) OPRM1OPRD1OPRK1GRIA1
SCHEMBL16509070 0.85 PTPN1 (0.51) OPRM1OPRD1OPRK1GRIA1
SCHEMBL16509049 0.85 PTPN1 (0.49) OPRM1OPRD1OPRK1GRIA1
SCHEMBL16508968 0.85 PSMB5 (0.46) —

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-20110301087-A1 CRF1 RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. 2011-12-08 — — 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-20110301087-A1 CRF1 RECEPTOR COMPOUNDS CRHR1, CRH, CRHR2 OPRM1 31/4885OPRD1 26/4885OPRK1 12/4885

“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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