SCHEMBL20104594

SCHEMBL20104594

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

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 17/20 0.37
NPY1R P25929 11/20 0.37
NPY5R Q15761 10/20 0.37
NPY2R P49146 7/20 0.37
ALOX15 P16050 1/20 0.33
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL7602596 0.88 NPY4R (0.38) NPY4RNPY1RNPY5RNPY2RALOX15
SCHEMBL14599990 0.88 NPY4R (0.38) NPY4RNPY1RNPY5RNPY2RALOX15
SCHEMBL13402566 0.88 NPY4R (0.42) NPY4RNPY1RNPY5RNPY2RALOX15
SCHEMBL12837508 0.86 NPY4R (0.39) NPY4RNPY1RNPY5RNPY2RALOX15
SCHEMBL26757511 0.85 NPY4R (0.36) NPY4RNPY1RNPY5RNPY2RALOX15
SCHEMBL22215549 0.84 NPY4R (0.38) NPY4RNPY1RNPY5RNPY2RALOX15
SCHEMBL9298017 0.83 NPY4R (0.36) NPY4RNPY1RNPY5RNPY2RALOX15
SCHEMBL14199839 0.83 NPY4R (0.36) NPY4RNPY1RNPY5RNPY2RALOX15
SCHEMBL22837274 0.83 NPY4R (0.36) NPY4RNPY1RNPY5RNPY2RALOX15
SCHEMBL26390125 0.83 NPY4R (0.36) NPY4RNPY1RNPY5RNPY2RALOX15

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-20180117170-A1 ANTIBODY-COUPLED CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 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-20180117170-A1 ANTIBODY-COUPLED CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS NPY1R, NPY5R, NPY2R NPY4R 4/4885NPY1R 1/4885NPY5R 2/4885

“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.