SCHEMBL30451792

SCHEMBL30451792

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

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 12/20 0.52
▸ NPY1R P25929 2/20 0.51
▸ NPY2R P49146 2/20 0.51
▸ NPY4R P50391 2/20 0.51
▸ OPRM1 P35372 1/20 0.51
▸ OPRD1 P41143 1/20 0.51
▸ CCKAR P32238 1/20 0.49
▸ CCKBR P32239 1/20 0.49
▸ GHSR Q92847 2/20 0.49
▸ KISS1R Q969F8 1/20 0.49

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
SCHEMBL30259946 0.92 GHSR (0.51) NPBWR1NPY1RNPY2RNPY4ROPRM1
SCHEMBL30464843 0.91 MC4R (0.55) OPRM1OPRD1KISS1R
SCHEMBL30259958 0.90 GHSR (0.55) NPBWR1NPY1RNPY2RNPY4ROPRM1
SCHEMBL7592892 0.90 KISS1R (0.60) KISS1R
SCHEMBL30919247 0.90 OPRD1 (0.57) NPBWR1OPRM1OPRD1CCKARCCKBR
SCHEMBL31680259 0.90 NPBWR1 (0.60) NPBWR1OPRM1OPRD1GHSR
SCHEMBL30452155 0.89 NPBWR1 (0.61) NPBWR1
SCHEMBL29784960 0.88 MC4R (0.52) NPY1RNPY2RNPY4ROPRM1OPRD1
SCHEMBL31541507 0.87 KISS1R (0.56) OPRD1CCKARCCKBRKISS1R
SCHEMBL29533726 0.87 CCKBR (0.55) NPY1RNPY2RNPY4ROPRD1CCKAR

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 4413/4885NPY1R 2313/4885NPY2R 2482/4885

“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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