SCHEMBL29533810

SCHEMBL29533810

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

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 15/20 0.44
▸ NPY1R P25929 9/20 0.44
▸ NPY5R Q15761 8/20 0.44
▸ QRFPR Q96P65 3/20 0.43
▸ NPY2R P49146 5/20 0.40
▸ NPBWR1 P48145 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
SCHEMBL29355811 0.98 NPY4R (0.41) NPY4RNPY1RNPY5RQRFPRNPY2R
SCHEMBL29533919 0.96 NPY5R (0.42) NPY4RNPY1RNPY5RQRFPRNPY2R
SCHEMBL29355526 0.93 NPY4R (0.46) NPY4RNPY1RNPY5RNPY2R
SCHEMBL3961387 0.92 QRFPR (0.46) NPY4RNPY1RNPY5RQRFPRNPY2R
SCHEMBL3961412 0.92 QRFPR (0.46) NPY4RNPY1RNPY5RQRFPRNPY2R
SCHEMBL29569172 0.92 QRFPR (0.46) NPY4RNPY1RNPY5RQRFPRNPY2R
SCHEMBL30193290 0.91 QRFPR (0.45) NPY4RNPY1RNPY5RQRFPRNPY2R
SCHEMBL29414400 0.91 NPY4R (0.43) NPY4RNPY1RNPY5RNPY2R
SCHEMBL31232443 0.90 NPY5R (0.42) NPY4RNPY1RNPY5RQRFPRNPBWR1
SCHEMBL29354924 0.89 SLC15A2 (0.44) NPY4RNPY1RNPY5RNPY2R

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 NPY4R 2474/4885NPY1R 2136/4885NPY5R 2019/4885

“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.

Send feedback