SCHEMBL18176632

SCHEMBL18176632

CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CNC(=N)N)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 11/20 0.60
▸ ACE P12821 2/20 0.51
▸ SLC6A2 P23975 1/20 0.51
▸ OPRM1 P35372 3/20 0.50
▸ OPRD1 P41143 1/20 0.50
▸ ACE2 Q9BYF1 1/20 0.48

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
SCHEMBL18176633 0.92 OPRK1 (0.65) OPRK1ACESLC6A2OPRM1
SCHEMBL18176610 0.91 OPRK1 (0.63) OPRK1OPRM1
SCHEMBL24360693 0.90 OPRK1 (0.66) OPRK1OPRM1
SCHEMBL31384596 0.89 OPRK1 (0.65) OPRK1ACESLC6A2ACE2
SCHEMBL11932315 0.88 OPRK1 (0.79) OPRK1SLC6A2OPRM1OPRD1
SCHEMBL30689267 0.88 OPRK1 (0.59) OPRK1OPRM1
SCHEMBL29899058 0.87 OPRK1 (0.62) OPRK1ACEACE2
SCHEMBL31384595 0.87 NPY4R (0.60) OPRK1OPRM1
SCHEMBL31384592 0.87 NPY4R (0.60) OPRK1OPRM1
SCHEMBL18176608 0.87 OPRK1 (0.77) OPRK1ACESLC6A2ACE2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160310558-A1 USES OF KAPPA OPIOID SYNTHETIC PEPTIDE AMIDES CARA THERAPEUTICS, INC. (US) 2016-10-27 — — 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 (1 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-20160310558-A1 USES OF KAPPA OPIOID SYNTHETIC PEPTIDE AMIDES OPRK1, OGFR, MMP13 OPRK1 1/4885ACE 835/4885SLC6A2 938/4885

“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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