SCHEMBL31074780

SCHEMBL31074780

N=C(N)NCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 2/20 0.51
▸ MMP1 P03956 3/20 0.50
▸ MMP2 P08253 3/20 0.50
▸ MMP8 P22894 2/20 0.50
▸ CCKBR P32239 2/20 0.49
▸ NPY1R P25929 3/20 0.49
▸ NPY2R P49146 3/20 0.49
▸ NPY4R P50391 3/20 0.49
▸ ACE P12821 2/20 0.48
▸ KISS1R Q969F8 2/20 0.48
▸ CCKAR P32238 1/20 0.48
▸ OPRD1 P41143 1/20 0.48
▸ ERAP1 Q9NZ08 1/20 0.48
▸ LNPEP Q9UIQ6 1/20 0.48
▸ MMP9 P14780 1/20 0.47

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
SCHEMBL31484223 0.97 ERAP2 (0.51) ERAP2MMP1MMP2MMP8CCKBR
SCHEMBL31074790 0.97 MMP1 (0.51) ERAP2MMP1MMP2MMP8NPY1R
SCHEMBL29577026 0.96 ACE (0.52) ERAP2NPY1RNPY2RNPY4RACE
SCHEMBL30200105 0.96 ACE (0.52) ERAP2NPY1RNPY2RNPY4RACE
SCHEMBL30085020 0.96 ACE (0.52) ERAP2NPY1RNPY2RNPY4RACE
SCHEMBL31607064 0.95 ERAP2 (0.52) ERAP2MMP1MMP2MMP8CCKBR
SCHEMBL30688662 0.95 MMP1 (0.51) ERAP2MMP1MMP2MMP8ACE
SCHEMBL30053160 0.95 KISS1R (0.50) ERAP2MMP1MMP2MMP8CCKBR
SCHEMBL30389170 0.95 NPY1R (0.53) ERAP2NPY1RNPY2RNPY4RACE
SCHEMBL29799876 0.95 NPY1R (0.53) ERAP2NPY1RNPY2RNPY4RACE

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-20240287154-A1 MC3R AGONIST PEPTIDES COURAGE THERAPEUTICS, INC. 2024-08-29 — — 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-20240287154-A1 MC3R AGONIST PEPTIDES MC3R, MC4R, MC1R ERAP2 1323/4885MMP1 4289/4885MMP2 3656/4885

“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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