SCHEMBL29534033

SCHEMBL29534033

N=C(N)NCCC[C@H](NC(=O)CN)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 13/20 0.41
▸ NPY5R Q15761 9/20 0.41
▸ NPY1R P25929 8/20 0.41
▸ NPY2R P49146 6/20 0.41
▸ ACE P12821 1/20 0.39
▸ SLC15A2 Q16348 1/20 0.39
▸ FNTA P49354 2/20 0.38
▸ FNTB P49356 2/20 0.38
▸ PGGT1B P53609 1/20 0.38
▸ C3AR1 Q16581 1/20 0.37
▸ PTGS1 P23219 1/20 0.36
▸ GSTK1 Q9Y2Q3 1/20 0.36

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
SCHEMBL29533613 0.93 NPY4R (0.47) NPY4RNPY5RNPY1RNPY2RACE
SCHEMBL29533805 0.93 QRFPR (0.43) NPY4RNPY5RNPY1RNPY2RACE
SCHEMBL3952924 0.92 SLC15A2 (0.44) NPY4RNPY5RNPY1RNPY2RSLC15A2
SCHEMBL3952951 0.92 SLC15A2 (0.44) NPY4RNPY5RNPY1RNPY2RSLC15A2
SCHEMBL29875467 0.92 SLC15A2 (0.44) NPY4RNPY5RNPY1RNPY2RSLC15A2
SCHEMBL29875780 0.92 SLC15A2 (0.44) NPY4RNPY5RNPY1RNPY2RSLC15A2
SCHEMBL29534002 0.92 NPY4R (0.44) NPY4RNPY5RNPY1RNPY2RACE
SCHEMBL28933203 0.92 PTGS1 (0.42) NPY4RNPY5RNPY1RNPY2RACE
SCHEMBL28933196 0.92 PTGS1 (0.42) NPY4RNPY5RNPY1RNPY2RACE
SCHEMBL31557707 0.90 SLC15A2 (0.42) NPY4RNPY5RNPY1RNPY2RSLC15A2

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
EP-4389216-A2 PEPTIDE COMPOSITIONS AND THERAPEUTIC USES Allegro Pharmaceuticals, LLC (US) 2024-06-26 — — EP disclosed
US-20220133904-A1 TRANSGLUTAMINASE CONJUGATION METHOD WITH A GLYCINE BASED LINKER PAUL SCHERRER INSTITUT (CH) 2022-05-05 — — 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-20220133904-A1 TRANSGLUTAMINASE CONJUGATION METHOD WITH A GLYCINE BASED LINKER TGM3, TGM2, GLUL NPY4R 2474/4885NPY5R 2019/4885NPY1R 2136/4885

“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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