SCHEMBL30452484

SCHEMBL30452484

N=C(N)NCCCC[C@H](NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCN)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 1/20 0.57
▸ PRKACB P22694 1/20 0.54
▸ GHSR Q92847 3/20 0.54
▸ CCKAR P32238 1/20 0.52
▸ CCKBR P32239 1/20 0.52

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
SCHEMBL30259955 0.94 NPBWR1 (0.62) NPBWR1PRKACBGHSR
SCHEMBL30452155 0.93 NPBWR1 (0.61) NPBWR1PRKACB
SCHEMBL30492107 0.92 PRKACB (0.57) NPBWR1PRKACBGHSR
SCHEMBL29485117 0.89 PRKACB (0.55) NPBWR1PRKACBGHSR
SCHEMBL30259946 0.88 GHSR (0.51) NPBWR1GHSR
SCHEMBL30452073 0.88 ECE1 (0.58) GHSR
SCHEMBL31073545 0.88 GHSR (0.55) NPBWR1GHSR
SCHEMBL29511199 0.86 NPBWR1 (0.57) NPBWR1PRKACBGHSR
SCHEMBL31593250 0.86 GHSR (0.58) NPBWR1PRKACBGHSR
SCHEMBL29419958 0.85 GHSR (0.61) GHSR

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-20230203096-A1 EPHA4 TARGETING COMPOUNDS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-29 — — 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-20230203096-A1 EPHA4 TARGETING COMPOUNDS AND METHODS OF USE THEREOF EPHA4, EPHA1, EPHA5 NPBWR1 4413/4885PRKACB 3808/4885GHSR 4150/4885

“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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