SCHEMBL25729800

SCHEMBL25729800

CC(C)C[C@@H](NC(=O)[C@@H](CCc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CNC(=N)N)C(=O)N1CCC(N)(C(=O)O)CC1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 19/20 0.68
▸ OPRM1 P35372 3/20 0.56
▸ TMPRSS11D O60235 1/20 0.46
▸ CTRL P40313 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
SCHEMBL10316467 0.94 OPRK1 (0.76) OPRK1OPRM1
SCHEMBL24001141 0.91 OPRK1 (0.75) OPRK1OPRM1
SCHEMBL13290877 0.89 OPRK1 (0.69) OPRK1OPRM1
SCHEMBL21886575 0.88 OPRK1 (0.51) OPRK1TMPRSS11DCTRL
SCHEMBL10316468 0.88 OPRK1 (0.76) OPRK1OPRM1
SCHEMBL25729957 0.87 OPRK1 (0.85) OPRK1OPRM1
SCHEMBL21286543 0.87 OPRK1 (0.55) OPRK1OPRM1
SCHEMBL21286478 0.86 OPRK1 (0.79) OPRK1OPRM1
SCHEMBL19835420 0.86 OPRK1 (0.89) OPRK1OPRM1
SCHEMBL22957113 0.86 TMPRSS11D (0.52) OPRK1TMPRSS11DCTRL

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-11684674-B2 Oral formulations of kappa opioid receptor agonists CARA THERAPEUTICS, INC. (US) 2023-06-27 — — 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-11684674-B2 Oral formulations of kappa opioid receptor agonists OPRK1, OPRL1, OGFR OPRK1 1/4885OPRM1 5/4885TMPRSS11D 2519/4885

“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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