SCHEMBL3043173

SCHEMBL3043173

CC(C)C[C@H](NC(=O)[C@@H](N)CCCNC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1[C]=O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 12/20 0.47
NPY1R P25929 7/20 0.47
NPY2R P49146 5/20 0.47
NPY5R Q15761 5/20 0.47
PLK1 P53350 1/20 0.41
OPRM1 P35372 6/20 0.39
OPRK1 P41145 6/20 0.39
NTSR2 O95665 1/20 0.38
NTSR1 P30989 1/20 0.38

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
SCHEMBL2194031 0.94 NPY4R (0.48) NPY4RNPY1RNPY2RNPY5ROPRM1
SCHEMBL2198493 0.91 NPY4R (0.42) NPY4RNPY1RNPY2RNPY5RPLK1
SCHEMBL2192847 0.90 NPY4R (0.41) NPY4RNPY1RNPY2RNPY5RPLK1
SCHEMBL2181939 0.90 DPP7 (0.41) NPY4RNPY1RNPY2RNPY5R
SCHEMBL30585577 0.85 OPRM1 (0.48) NPY4RNPY1RNPY2RNPY5RPLK1
SCHEMBL2193514 0.84 DPP4 (0.42) OPRM1OPRK1
SCHEMBL2181838 0.83 KDM1A (0.37) NPY4RNPY1RNPY2RNPY5RPLK1
SCHEMBL4981729 0.82 DPP4 (0.47) NPY4RNPY1RNPY2RNPY5R
SCHEMBL31481586 0.81 OPRK1 (0.47) NPY4RNPY1RNPY2RNPY5ROPRM1
SCHEMBL2182923 0.80 DPP4 (0.52)

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-20100158905-A1 COMBINATION THERAPY OF ARTHRITIS WITH TRANILAST NUON THERAPEUTICS, INC. (US) 2010-06-24 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-20100158905-A1 COMBINATION THERAPY OF ARTHRITIS WITH TRANILAST PTGS2, PTGES2, PTGES NPY4R 2185/4885NPY1R 3492/4885NPY2R 1338/4885

“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.