SCHEMBL5558796

SCHEMBL5558796

CC(C)C[C@H](NC(=O)[C@@H](N)CCC(=O)NCc1ccc(C#N)cc1)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 10/20 0.42
NPY1R P25929 5/20 0.42
NPY2R P49146 4/20 0.42
NPY5R Q15761 4/20 0.42
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
CTSK P43235 1/20 0.40
ANPEP P15144 2/20 0.39
SLC1A1 P43005 1/20 0.39
ERAP2 Q6P179 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39
LNPEP Q9UIQ6 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
SCHEMBL5557532 0.83 REN (0.49) CTSK
SCHEMBL5552333 0.81 PPID (0.40) NPY4RNPY1RNPY2RNPY5RERAP2
SCHEMBL3237580 0.79 HTR1A (0.48) HTR1ADRD2
SCHEMBL5685768 0.76 CTSK (0.53) CTSKANPEP
SCHEMBL5685770 0.76 EPHX2 (0.48) CTSKANPEP
SCHEMBL27569901 0.76 CTSK (0.53) CTSKANPEP
SCHEMBL5557666 0.76 ERAP2 (0.49) NPY4RNPY1RNPY2RNPY5RANPEP
SCHEMBL28556186 0.72 DPP4 (0.58) NPY4RNPY1RNPY2RNPY5RERAP2
SCHEMBL19982696 0.69 ERAP2 (0.65) ANPEPERAP2ERAP1LNPEP
SCHEMBL19002484 0.69 CYP3A4 (0.56)

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-20070197577-A1 Inhibitors of anthrax lethal factor CENGENT THERAPEUTICS (US) 2007-08-23 US disclosed
WO-2005027856-A2 INHIBITORS OF ANTHRAX LETHAL FACTOR CENGENT THERAPEUTICS (US) 2005-03-31 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-20070197577-A1 Inhibitors of anthrax lethal factor APAF1, ANTXR2, LITAF NPY4R 4772/4885NPY1R 4549/4885NPY2R 4536/4885

“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.