SCHEMBL29533919

SCHEMBL29533919

C[C@H](NC(=O)CNC(=O)CN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 6/20 0.42
▸ NPY4R P50391 6/20 0.42
▸ NPY1R P25929 5/20 0.42
▸ QRFPR Q96P65 1/20 0.41
▸ NMT2 O60551 1/20 0.40
▸ NMT1 P30419 1/20 0.40
▸ NPBWR1 P48145 1/20 0.40
▸ FURIN P09958 2/20 0.40
▸ SLC15A2 Q16348 1/20 0.40
▸ OPRL1 P41146 3/20 0.39
▸ TFPI P10646 1/20 0.39
▸ NPY2R P49146 3/20 0.39

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
SCHEMBL29533810 0.96 NPY4R (0.44) NPY5RNPY4RNPY1RQRFPRNPBWR1
SCHEMBL31232443 0.94 NPY5R (0.42) NPY5RNPY4RNPY1RQRFPRNMT2
SCHEMBL29354924 0.94 SLC15A2 (0.44) NPY5RNPY4RNPY1RNMT2NMT1
SCHEMBL29355811 0.94 NPY4R (0.41) NPY5RNPY4RNPY1RQRFPRNPY2R
SCHEMBL29357200 0.93 NPBWR1 (0.44) NPY5RNPY4RNPY1RNMT2NMT1
SCHEMBL29435094 0.93 SLC15A2 (0.45) NPY5RNPY4RNPY1RQRFPRNMT2
SCHEMBL30062951 0.92 SLC15A2 (0.44) NPY5RNPY4RNPY1RQRFPRNMT2
SCHEMBL7861255 0.91 NPY4R (0.47) NPY5RNPY4RNPY1RNMT2NMT1
SCHEMBL7861254 0.91 NPY4R (0.47) NPY5RNPY4RNPY1RNMT2NMT1
SCHEMBL29355526 0.89 NPY4R (0.46) NPY5RNPY4RNPY1RSLC15A2NPY2R

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-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 NPY5R 2019/4885NPY4R 2474/4885NPY1R 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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