SCHEMBL20866855

SCHEMBL20866855

CC[C@H](C)C(N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 5/20 0.49
▸ NPY2R P49146 2/20 0.46
▸ NPY4R P50391 2/20 0.46
▸ NPY5R Q15761 2/20 0.46
▸ NMUR2 Q9GZQ4 5/20 0.44
▸ NMUR1 Q9HB89 4/20 0.44
▸ F2 P00734 4/20 0.42
▸ NTSR2 O95665 2/20 0.42
▸ NTSR1 P30989 2/20 0.42
▸ XIAP P98170 1/20 0.40
▸ SORT1 Q99523 1/20 0.40

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
SCHEMBL20866857 0.91 NMUR2 (0.45) NPY1RNPY2RNPY4RNPY5RNMUR2
SCHEMBL31556392 0.89 NPY1R (0.50) NPY1RNPY2RNPY4RNPY5RNMUR2
SCHEMBL20866859 0.88 NMUR2 (0.45) NPY1RNMUR2NMUR1NTSR2NTSR1
SCHEMBL11771442 0.87 NPY1R (0.51) NPY1RNPY2RNPY4RNPY5RNMUR2
SCHEMBL11771428 0.87 NPY1R (0.51) NPY1RNPY2RNPY4RNPY5RNMUR2
SCHEMBL20866863 0.87 NTSR1 (0.56) NPY1RNPY2RNPY4RNPY5RNTSR2
SCHEMBL20866854 0.86 CAPN1 (0.42) NPY1RNMUR2NMUR1XIAP
SCHEMBL7309484 0.84 NPY1R (0.51) NPY1RNPY2RNPY4RNPY5RNMUR2
SCHEMBL7309499 0.84 NPY1R (0.51) NPY1RNPY2RNPY4RNPY5RNMUR2
SCHEMBL20866860 0.84 NMUR2 (0.45) NMUR2NMUR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200255475-A1 METABOLITE INSPIRED SELECTIVE OXYTOCIN RECEPTOR AGONISTS Kinoxis Therapeutics Pty Ltd (AU) 2020-08-13 — — US disclosed
WO-2019060962-A1 METABOLITE INSPIRED SELECTIVE OXYTOCIN RECEPTOR AGONISTS THE UNIVERSITY OF SYDNEY (AU) 2019-04-04 — — WO 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-20200255475-A1 METABOLITE INSPIRED SELECTIVE OXYTOCIN RECEPTOR AGONISTS OXTR, AVPR2, AVPR1A NPY1R 15/4885NPY2R 18/4885NPY4R 28/4885

“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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