SCHEMBL21886404

SCHEMBL21886404

CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 11/20 0.56
▸ OPRM1 P35372 9/20 0.51
▸ OPRD1 P41143 2/20 0.51
▸ ACE P12821 3/20 0.49
▸ NPFFR1 Q9GZQ6 2/20 0.49
▸ NPFFR2 Q9Y5X5 2/20 0.49
▸ ACE2 Q9BYF1 1/20 0.49
▸ NMUR2 Q9GZQ4 1/20 0.49
▸ NMUR1 Q9HB89 1/20 0.49

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
SCHEMBL11930368 0.98 OPRK1 (0.53) OPRK1OPRM1OPRD1ACEACE2
SCHEMBL20363357 0.93 ACE (0.51) OPRK1OPRM1OPRD1ACEACE2
SCHEMBL24360693 0.92 OPRK1 (0.66) OPRK1OPRM1NMUR2NMUR1
SCHEMBL18176610 0.90 OPRK1 (0.63) OPRK1OPRM1NMUR2NMUR1
SCHEMBL29666821 0.89 OPRM1 (0.56) OPRK1OPRM1OPRD1ACENMUR2
SCHEMBL31679457 0.88 OPRM1 (0.53) OPRM1OPRD1NPFFR1NPFFR2NMUR2
SCHEMBL29678002 0.88 ACE (0.53) OPRK1OPRM1OPRD1ACEACE2
SCHEMBL30689267 0.87 OPRK1 (0.59) OPRK1OPRM1NMUR2NMUR1
SCHEMBL18176633 0.86 OPRK1 (0.65) OPRK1OPRM1ACENMUR2NMUR1
SCHEMBL31384595 0.86 NPY4R (0.60) OPRK1OPRM1

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 4 patents. 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
US-11033629-B2 Oral formulations of kappa opioid receptor agonists CARA THERAPEUTICS, INC. (US) 2021-06-15 — — US disclosed
US-10913769-B2 Synthetic peptide amides and dimers thereof CARA THERAPEUTICS, INC. (US) 2021-02-09 — — US disclosed
US-20200085961-A1 Oral Formulations of Kappa Opioid Receptor Agonists CARA THERAPEUTICS, INC. 2020-03-19 — — 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 (4 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-10913769-B2 Synthetic peptide amides and dimers thereof OPRK1, OPRL1, OPRM1 OPRK1 1/4885OPRM1 3/4885OPRD1 4/4885
US-11684674-B2 Oral formulations of kappa opioid receptor agonists OPRK1, OPRL1, OGFR OPRK1 1/4885OPRM1 5/4885OPRD1 4/4885
US-11033629-B2 Oral formulations of kappa opioid receptor agonists OPRK1, OPRL1, OGFR OPRK1 1/4885OPRM1 5/4885OPRD1 4/4885
US-20200085961-A1 Oral Formulations of Kappa Opioid Receptor Agonists OPRK1, OPRL1, OGFR OPRK1 1/4885OPRM1 5/4885OPRD1 4/4885

“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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