SCHEMBL21886333

SCHEMBL21886333

CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)NC(CCCNC(C)C)C(=O)N1CCCOCC1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 17/20 0.72
▸ OPRM1 P35372 2/20 0.51
▸ REN P00797 2/20 0.50
▸ PSMB5 P28074 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
SCHEMBL11927500 1.00 OPRK1 (0.72) OPRK1OPRM1RENPSMB5
SCHEMBL20363365 0.98 OPRK1 (0.75) OPRK1OPRM1REN
SCHEMBL24001142 0.95 OPRK1 (0.65) OPRK1PSMB5
SCHEMBL11927499 0.94 OPRK1 (0.70) OPRK1OPRM1RENPSMB5
SCHEMBL26648563 0.92 OPRK1 (0.61) OPRK1OPRM1REN
SCHEMBL11927488 0.92 OPRK1 (0.69) OPRK1OPRM1
SCHEMBL18413122 0.91 OPRK1 (0.74) OPRK1OPRM1REN
SCHEMBL20363358 0.91 OPRK1 (0.73) OPRK1OPRM1
SCHEMBL11927496 0.91 OPRK1 (0.60) OPRK1
SCHEMBL21883069 0.90 OPRK1 (0.59) OPRK1REN

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 5/4885REN 3048/4885
US-20200085961-A1 Oral Formulations of Kappa Opioid Receptor Agonists OPRK1, OPRL1, OGFR OPRK1 1/4885OPRM1 5/4885REN 3048/4885

“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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