SCHEMBL29896929

SCHEMBL29896929

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

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 4/20 0.63
▸ ERAP1 Q9NZ08 2/20 0.62
▸ ERAP2 Q6P179 1/20 0.62
▸ LNPEP Q9UIQ6 1/20 0.62
▸ NPY1R P25929 3/20 0.60
▸ NPY2R P49146 3/20 0.60
▸ NPY4R P50391 3/20 0.60
▸ OPRM1 P35372 1/20 0.59
▸ OPRD1 P41143 1/20 0.59

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
SCHEMBL29508679 0.97 GHSR (0.64) GHSRERAP1ERAP2LNPEPNPY1R
SCHEMBL29508662 0.96 GHSR (0.63) GHSRERAP1ERAP2LNPEPNPY1R
SCHEMBL31731732 0.96 GHSR (0.62) GHSRERAP1ERAP2LNPEPNPY1R
SCHEMBL29578675 0.96 NPY1R (0.66) GHSRERAP1ERAP2LNPEPNPY1R
SCHEMBL29577431 0.96 NPY1R (0.66) GHSRERAP1ERAP2LNPEPNPY1R
SCHEMBL29508714 0.95 GHSR (0.64) GHSRERAP1ERAP2LNPEPNPY1R
SCHEMBL31451018 0.95 GHSR (0.67) GHSR
SCHEMBL29370555 0.95 GHSR (0.67) GHSR
SCHEMBL29779862 0.94 IL1RN (0.65) GHSRERAP1ERAP2OPRM1OPRD1
SCHEMBL29405001 0.94 GHSR (0.68) 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-11458206-B2 Targeted conjugates and particles and formulations thereof TVA (ABC), LLC (US) 2022-10-04 — — 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-11458206-B2 Targeted conjugates and particles and formulations thereof SSTR5, SSTR1, SSTR4 GHSR 19/4885ERAP1 1001/4885ERAP2 1100/4885

“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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