SCHEMBL21886568

SCHEMBL21886568

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

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 15/20 0.77
▸ MMP1 P03956 1/20 0.49
▸ MMP3 P08254 1/20 0.49
▸ NPY4R P50391 4/20 0.47
▸ NPY1R P25929 3/20 0.47
▸ NPY2R P49146 2/20 0.47
▸ NPY5R Q15761 2/20 0.47
▸ OPRM1 P35372 3/20 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
SCHEMBL10316475 0.95 OPRK1 (0.85) OPRK1NPY4RNPY1RNPY2RNPY5R
SCHEMBL21286531 0.95 OPRK1 (0.76) OPRK1MMP1MMP3NPY4RNPY1R
SCHEMBL18413282 0.95 OPRK1 (0.83) OPRK1NPY4RNPY1RNPY2RNPY5R
SCHEMBL21286624 0.93 OPRK1 (0.81) OPRK1NPY4RNPY1RNPY2RNPY5R
SCHEMBL21886398 0.92 OPRK1 (0.72) OPRK1MMP1MMP3
SCHEMBL13290867 0.91 OPRK1 (0.78) OPRK1NPY4RNPY1RNPY2RNPY5R
SCHEMBL10316378 0.91 OPRK1 (0.84) OPRK1NPY4RNPY1RNPY2RNPY5R
SCHEMBL21886569 0.91 OPRK1 (0.90) OPRK1OPRM1
SCHEMBL19249318 0.90 OPRK1 (0.87) OPRK1MMP1MMP3OPRM1
SCHEMBL21886406 0.90 OPRK1 (0.86) OPRK1MMP1MMP3OPRM1

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 1/4885MMP1 2389/4885MMP3 2242/4885
US-20200085961-A1 Oral Formulations of Kappa Opioid Receptor Agonists OPRK1, OPRL1, OGFR OPRK1 1/4885MMP1 2389/4885MMP3 2242/4885

“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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