SCHEMBL21886398

SCHEMBL21886398

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(N2CCC[C@H]2C(=O)O)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 14/20 0.72
▸ MMP1 P03956 1/20 0.42
▸ MMP3 P08254 1/20 0.42
▸ TMPRSS11D O60235 1/20 0.41
▸ CTRL P40313 1/20 0.41
▸ PSMB5 P28074 3/20 0.41
▸ PSMB11 A5LHX3 1/20 0.41
▸ PSMD11 O00231 1/20 0.41
▸ PSMD12 O00232 1/20 0.41
▸ PSMD14 O00487 1/20 0.41
▸ PSMA7 O14818 1/20 0.41
▸ PSMD3 O43242 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ PSMC3 P17980 1/20 0.41
▸ PSMB1 P20618 1/20 0.41
▸ CYP3A5 P20815 1/20 0.41
▸ CYP3A7 P24462 1/20 0.41
▸ PSMA1 P25786 1/20 0.41
▸ PSMA2 P25787 1/20 0.41

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
SCHEMBL11932315 0.94 OPRK1 (0.79) OPRK1PSMB5PSMB11PSMA7PSMB1
SCHEMBL21286531 0.94 OPRK1 (0.76) OPRK1MMP1MMP3
SCHEMBL21886568 0.92 OPRK1 (0.77) OPRK1MMP1MMP3
SCHEMBL13290885 0.90 OPRK1 (0.72) OPRK1PSMB5PSMB11PSMA7PSMB1
SCHEMBL21233384 0.89 OPRK1 (0.90) OPRK1MMP1MMP3TMPRSS11DCTRL
SCHEMBL10316378 0.89 OPRK1 (0.84) OPRK1
SCHEMBL21886406 0.88 OPRK1 (0.86) OPRK1MMP1MMP3
SCHEMBL21286624 0.88 OPRK1 (0.81) OPRK1
SCHEMBL21886569 0.88 OPRK1 (0.90) OPRK1
SCHEMBL10316475 0.87 OPRK1 (0.85) OPRK1

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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