SCHEMBL10085993

SCHEMBL10085993

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

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 18/20 0.49
▸ NPY1R P25929 11/20 0.49
▸ NPY5R Q15761 10/20 0.49
▸ NPY2R P49146 7/20 0.49
▸ CACNA1B Q00975 1/20 0.39

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
SCHEMBL27115303 0.88 NPY4R (0.55) NPY4RNPY1RNPY5RNPY2RCACNA1B
SCHEMBL30958040 0.86 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2RCACNA1B
SCHEMBL10168593 0.86 NPY4R (0.55) NPY4RNPY1RNPY5RNPY2R
SCHEMBL18758146 0.83 NPY4R (0.51) NPY4RNPY1RNPY5RNPY2R
SCHEMBL15963839 0.82 NPY4R (0.48) NPY4RNPY1RNPY5RNPY2R
SCHEMBL10169049 0.81 NPY4R (0.52) NPY4RNPY1RNPY5RNPY2R
SCHEMBL15826828 0.81 NPY4R (0.47) NPY4RNPY1RNPY5RNPY2R
SCHEMBL24221401 0.80 NPY4R (0.37) NPY4RNPY1RNPY5RNPY2R
SCHEMBL1276063 0.80 NPY4R (0.37) NPY4RNPY1RNPY5RNPY2R
SCHEMBL10169230 0.80 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2R

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-20120040893-A1 MODIFICATION OF FEEDING BEHAVIOUR COWLEY MICHAEL (AU) 2012-02-16 — — 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-20120040893-A1 MODIFICATION OF FEEDING BEHAVIOUR GLP1R, NPY4R, NPY1R NPY4R 2/4885NPY1R 3/4885NPY5R 6/4885

“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.

Send feedback