SCHEMBL21886575

SCHEMBL21886575

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)N1CCCN(C(=N)N)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 14/20 0.51
▸ TMPRSS11D O60235 1/20 0.45
▸ CTRL P40313 1/20 0.45
▸ PSMB5 P28074 5/20 0.45
▸ PSMB9 P28065 2/20 0.45
▸ PSMB11 A5LHX3 1/20 0.45
▸ PSMD11 O00231 1/20 0.45
▸ PSMD12 O00232 1/20 0.45
▸ PSMD14 O00487 1/20 0.45
▸ PSMA7 O14818 1/20 0.45
▸ PSMD3 O43242 1/20 0.45
▸ CTSB P07858 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ PSMC3 P17980 1/20 0.45
▸ PSMB1 P20618 1/20 0.45
▸ CYP3A5 P20815 1/20 0.45
▸ CYP3A7 P24462 1/20 0.45
▸ PSMA1 P25786 1/20 0.45
▸ PSMA2 P25787 1/20 0.45
▸ PSMA3 P25788 1/20 0.45

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
SCHEMBL10316406 0.94 OPRK1 (0.57) OPRK1
SCHEMBL21286625 0.93 OPRK1 (0.54) OPRK1
SCHEMBL21233374 0.92 OPRK1 (0.56) OPRK1
SCHEMBL24360719 0.91 OPRK1 (0.59) OPRK1
SCHEMBL19249446 0.90 OPRK1 (0.58) OPRK1
SCHEMBL22957113 0.90 TMPRSS11D (0.52) OPRK1TMPRSS11DCTRLPSMB5PSMB9
SCHEMBL21286484 0.89 OPRK1 (0.62) OPRK1
SCHEMBL13290894 0.89 OPRK1 (0.57) OPRK1
SCHEMBL13290902 0.88 OPRK1 (0.59) OPRK1PSMB5PSMB9PSMB8PSMB10
SCHEMBL25729800 0.88 OPRK1 (0.68) OPRK1TMPRSS11DCTRL

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 1/4885TMPRSS11D 2519/4885CTRL 4469/4885
US-20200085961-A1 Oral Formulations of Kappa Opioid Receptor Agonists OPRK1, OPRL1, OGFR OPRK1 1/4885TMPRSS11D 2519/4885CTRL 4469/4885

“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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