SCHEMBL29601949

SCHEMBL29601949

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 12/20 0.58
NPY1R P25929 7/20 0.58
NPY2R P49146 5/20 0.58
NPY5R Q15761 5/20 0.58
KISS1R Q969F8 6/20 0.54
OPRM1 P35372 2/20 0.54
OPRD1 P41143 2/20 0.54
OPRK1 P41145 1/20 0.54

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
SCHEMBL29464013 0.97 NPY4R (0.55) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL29540098 0.95 NPY4R (0.49) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL23405252 0.94 NPY4R (0.64) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL23405249 0.94 NPY4R (0.64) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL30570978 0.93 KISS1R (0.56) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL31222396 0.93 NPY4R (0.66) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL29520335 0.92 NPY4R (0.64) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL31415959 0.91 NPY4R (0.56) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL31415960 0.91 NPY4R (0.58) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL30900089 0.91 NPY4R (0.66) NPY4RNPY1RNPY2RNPY5RKISS1R

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-20220152205-A1 MODULATING PERMEABILITY OF THE BLOOD CEREBROSPINAL FLUID BARRIER MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2022-05-19 US claimed

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-20220152205-A1 MODULATING PERMEABILITY OF THE BLOOD CEREBROSPINAL FLUID BARRIER C3AR1, CFH, CSF3R NPY4R 1578/4885NPY1R 1590/4885NPY2R 1340/4885

“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.