SCHEMBL30439907

SCHEMBL30439907

CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 1/20 0.59
▸ NPY2R P49146 1/20 0.59
▸ NPY4R P50391 1/20 0.59
▸ NPY5R Q15761 1/20 0.59
▸ CXCR4 P61073 3/20 0.55
▸ GLP1R P43220 11/20 0.54
▸ GCGR P47871 7/20 0.54
▸ GIPR P48546 7/20 0.54
▸ MAPK8 P45983 1/20 0.52
▸ MAPK9 P45984 1/20 0.52
▸ MAPK10 P53779 1/20 0.52
▸ CALCA P06881 1/20 0.52
▸ KISS1R Q969F8 1/20 0.51

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
SCHEMBL30523602 0.96 NPY1R (0.58) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30553959 0.94 CXCR4 (0.56) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30789042 0.89 CXCR4 (0.63) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30437221 0.86 NPY2R (0.70) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL29412272 0.86 CXCR4 (0.66) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30914561 0.85 MAPK8 (0.51) NPY1RNPY2RNPY4RNPY5RMAPK8
SCHEMBL31232459 0.85 NPY1R (0.59) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30607423 0.85 NPY2R (0.69) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30536327 0.83 NPY2R (0.72) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL31073511 0.83 CXCR4 (0.61) NPY1RNPY2RNPY4RNPY5RCXCR4

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-20240156973-A1 OSTEOTROPIC COMPOSITIONS AND USES THEREOF PURDUE RESEARCH FOUNDATION 2024-05-16 — — US disclosed
CN-116426508-A Recombinant lysyl endopeptidase mutant and application thereof 重庆艾美迪生物科技有限公司 2023-07-14 — — CN 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-20240156973-A1 OSTEOTROPIC COMPOSITIONS AND USES THEREOF SOST, BMP2, BMP6 NPY1R 1212/4885NPY2R 1229/4885NPY4R 1191/4885

“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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