SCHEMBL29387939

SCHEMBL29387939

C[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.48
▸ BACE1 P56817 3/20 0.47
▸ GLP1R P43220 4/20 0.47
▸ SCTR P47872 1/20 0.47
▸ VIPR2 P41587 4/20 0.45
▸ VIPR1 P32241 2/20 0.45
▸ BACE2 Q9Y5Z0 1/20 0.45
▸ NPY5R Q15761 3/20 0.45
▸ NPY1R P25929 2/20 0.45
▸ NPY4R P50391 2/20 0.45
▸ CTSL P07711 2/20 0.45
▸ CTSS P25774 2/20 0.45
▸ CTSK P43235 2/20 0.45
▸ CTSH P09668 1/20 0.45
▸ KEAP1 Q14145 1/20 0.44

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
SCHEMBL29840375 0.97 GLP1R (0.47) PTPN1BACE1GLP1RSCTRVIPR2
SCHEMBL29476637 0.94 NPY4R (0.45) PTPN1BACE1GLP1RSCTRNPY5R
SCHEMBL29519643 0.94 BACE1 (0.49) BACE1GLP1RSCTRNPY5RNPY1R
SCHEMBL29889146 0.93 NPY4R (0.46) GLP1RSCTRNPY5RNPY1RNPY4R
SCHEMBL30956347 0.92 GLP1R (0.51) BACE1GLP1RSCTRVIPR2VIPR1
SCHEMBL30475882 0.91 NPY4R (0.49) PTPN1GLP1RSCTRNPY5RNPY1R
SCHEMBL30956352 0.91 GLP1R (0.53) GLP1RSCTRKEAP1
SCHEMBL30475873 0.90 NPY4R (0.45) GLP1RSCTRNPY5RNPY1RNPY4R
SCHEMBL29482469 0.90 NPY4R (0.45) GLP1RSCTRNPY5RNPY1RNPY4R
SCHEMBL30252503 0.90 NPY4R (0.54) BACE1NPY5RNPY1RNPY4R

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-20220047605-A1 SALTS OF POTASSIUM ATP CHANNEL OPENERS AND USES THEREOF SOLENO THERAPEUTICS, INC. 2022-02-17 — — 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-20220047605-A1 SALTS OF POTASSIUM ATP CHANNEL OPENERS AND USES THEREOF KCNJ1, KCNJ11, KCNJ2 PTPN1 3092/4885BACE1 1975/4885GLP1R 337/4885

“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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