SCHEMBL23895410

SCHEMBL23895410

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 3/20 0.60
▸ NTSR1 P30989 2/20 0.59
▸ NPY2R P49146 7/20 0.59
▸ NPY4R P50391 7/20 0.59
▸ NPY5R Q15761 7/20 0.59
▸ NPY1R P25929 5/20 0.59
▸ TFPI P10646 1/20 0.58
▸ EPHA2 P29317 2/20 0.57
▸ NMUR2 Q9GZQ4 1/20 0.56
▸ NMUR1 Q9HB89 1/20 0.56

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
SCHEMBL23895426 1.00 OPRD1 (0.60) OPRD1NTSR1NPY2RNPY4RNPY5R
SCHEMBL23895420 0.95 OPRD1 (0.62) OPRD1NTSR1NPY2RNPY4RNPY5R
SCHEMBL30712913 0.89 NPY2R (0.64) OPRD1NPY2RNPY4RNPY5RNPY1R
SCHEMBL31182450 0.88 NPY2R (0.66) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30906464 0.87 NPY2R (0.70) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30607473 0.87 NPY2R (0.63) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29679794 0.86 CXCR4 (0.61) OPRD1NPY2RNPY4RNPY5RNPY1R
SCHEMBL29711789 0.86 NPY2R (0.65) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182841 0.86 TFPI (0.66) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29521469 0.86 NPY2R (0.61) OPRD1NTSR1NPY2RNPY4RNPY5R

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-20210308211-A1 METHOD OF TREATING VIRAL INFECTIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2021-10-07 — — 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-20210308211-A1 METHOD OF TREATING VIRAL INFECTIONS IRF3, IRF2BP2, STAT4 OPRD1 3957/4885NTSR1 2984/4885NPY2R 1765/4885

“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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