SCHEMBL4890602

SCHEMBL4890602

CC(C)CC(N)C(=O)NC(C=O)CCCNC(=N)N.CCOC(C)OCC

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 12/20 0.40
NPY1R P25929 7/20 0.40
CTSK P43235 6/20 0.40
NPY2R P49146 5/20 0.40
NPY5R Q15761 5/20 0.40
ANPEP P15144 2/20 0.32
RNPEP Q9H4A4 2/20 0.32
DNPEP Q9ULA0 1/20 0.32

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
SCHEMBL16565958 0.91 NPY4R (0.45) NPY4RNPY1RCTSKNPY2RNPY5R
SCHEMBL1394656 0.91 NPY4R (0.45) NPY4RNPY1RCTSKNPY2RNPY5R
SCHEMBL16566054 0.91 NPY4R (0.45) NPY4RNPY1RCTSKNPY2RNPY5R
SCHEMBL1394660 0.91 NPY4R (0.45) NPY4RNPY1RCTSKNPY2RNPY5R
Hydrochloric Acid SCHEMBL11142131 0.90 NPY4R (0.44) NPY4RNPY1RCTSKNPY2RNPY5R
SCHEMBL13724544 0.86 NPY4R (0.52) NPY4RNPY1RNPY2RNPY5R
SCHEMBL1818349 0.86 NPY4R (0.52) NPY4RNPY1RNPY2RNPY5R
SCHEMBL17866995 0.85 NPY4R (0.41) NPY4RNPY1RCTSKNPY2RNPY5R
SCHEMBL17866998 0.85 NPY4R (0.41) NPY4RNPY1RCTSKNPY2RNPY5R
SCHEMBL17866904 0.84 NPY4R (0.40) NPY4RNPY1RCTSKNPY2RNPY5R

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-20080039531-A1 Compositions, and kits comprising targeted aldehyde or acetal protease inhibitor compounds for treating muscle disorders STRACHER ALFRED 2008-02-14 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-20080039531-A1 Compositions, and kits comprising targeted aldehyde or acetal protease inhibitor compounds for treating muscle disorders CPT1B, CAPNS1, CAPN1 NPY4R 4822/4885NPY1R 4767/4885CTSK 198/4885

“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.