SCHEMBL31181269

SCHEMBL31181269

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 15/20 0.48
▸ NPY1R P25929 9/20 0.48
▸ NPY5R Q15761 8/20 0.48
▸ NPY2R P49146 5/20 0.45
▸ MAPK8 P45983 1/20 0.42
▸ MAPK9 P45984 1/20 0.42
▸ MAPK10 P53779 1/20 0.42
▸ OPRM1 P35372 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ KDM1A O60341 1/20 0.40
▸ KEAP1 Q14145 1/20 0.40

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
SCHEMBL29663559 0.92 MAPK8 (0.46) NPY4RNPY1RNPY5RNPY2RMAPK8
SCHEMBL29687469 0.91 MAPK8 (0.48) NPY4RNPY1RNPY5RNPY2RMAPK8
SCHEMBL30039279 0.89 NPY5R (0.47) NPY4RNPY1RNPY5RNPY2RMAPK8
SCHEMBL8720817 0.89 MAPK8 (0.44) NPY4RNPY1RNPY5RNPY2RMAPK8
SCHEMBL8720811 0.89 MAPK8 (0.44) NPY4RNPY1RNPY5RNPY2RMAPK8
SCHEMBL31480031 0.88 MAPK8 (0.49) NPY4RNPY1RNPY5RNPY2RMAPK8
SCHEMBL29496505 0.88 PRCP (0.42) NPY4RNPY1RNPY5RMAPK8MAPK9
SCHEMBL30416888 0.87 MAPK8 (0.42) NPY4RNPY1RNPY5RMAPK8MAPK9
SCHEMBL29437943 0.87 MAPK8 (0.43) NPY4RNPY1RNPY5RNPY2RMAPK8
SCHEMBL31195953 0.86 MAPK8 (0.49) NPY4RNPY1RNPY5RMAPK8MAPK9

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-20240360179-A1 STAPLED PEPTIDES AND METHODS THEREOF PARABILIS MEDICINES, INC. 2024-10-31 — — 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-20240360179-A1 STAPLED PEPTIDES AND METHODS THEREOF CTNNB1, APC, CTNNA1 NPY4R 599/4885NPY1R 352/4885NPY5R 467/4885

“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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