SCHEMBL21886569

SCHEMBL21886569

CC(C)C[C@@H](NC(=O)[C@@H](CCc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(N2CCCC2C(=O)O)CC1

nearest known ligand 0.90

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 18/20 0.90
▸ OPRM1 P35372 2/20 0.51
▸ ACE P12821 2/20 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
SCHEMBL21886406 0.98 OPRK1 (0.86) OPRK1OPRM1ACE
SCHEMBL10316456 0.95 OPRK1 (1.00) OPRK1OPRM1
SCHEMBL21233384 0.95 OPRK1 (0.90) OPRK1OPRM1
SCHEMBL19249320 0.94 OPRK1 (0.99) OPRK1OPRM1
SCHEMBL18413103 0.94 OPRK1 (0.99) OPRK1OPRM1
SCHEMBL24001251 0.93 OPRK1 (0.78) OPRK1OPRM1
SCHEMBL12243573 0.93 OPRK1 (0.96) OPRK1OPRM1
SCHEMBL13290855 0.91 OPRK1 (0.92) OPRK1OPRM1
SCHEMBL21886568 0.91 OPRK1 (0.77) OPRK1OPRM1
SCHEMBL10316418 0.90 OPRK1 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11033629-B2 Oral formulations of kappa opioid receptor agonists CARA THERAPEUTICS, INC. (US) 2021-06-15 — — 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 (2 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-11033629-B2 Oral formulations of kappa opioid receptor agonists OPRK1, OPRL1, OGFR OPRK1 1/4885OPRM1 5/4885ACE 3344/4885
US-20200085961-A1 Oral Formulations of Kappa Opioid Receptor Agonists OPRK1, OPRL1, OGFR OPRK1 1/4885OPRM1 5/4885ACE 3344/4885

“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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