SCHEMBL677459

SCHEMBL677459

CNC(C)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 17/20 0.46
NPY1R P25929 11/20 0.46
NPY5R Q15761 10/20 0.46
NPY2R P49146 7/20 0.45
SIRT5 Q9NXA8 1/20 0.39
NOD1 Q9Y239 1/20 0.37

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
SCHEMBL31184455 0.90 NPY4R (0.41) NPY4RNPY1RNPY5RNPY2RNOD1
SCHEMBL15826828 0.88 NPY4R (0.47) NPY4RNPY1RNPY5RNPY2RSIRT5
SCHEMBL14773211 0.87 NPY4R (0.48) NPY4RNPY1RNPY5RNPY2RSIRT5
SCHEMBL12892412 0.87 NPY4R (0.48) NPY4RNPY1RNPY5RNPY2RSIRT5
SCHEMBL12892411 0.87 NPY4R (0.48) NPY4RNPY1RNPY5RNPY2RSIRT5
SCHEMBL12892406 0.87 NPY4R (0.48) NPY4RNPY1RNPY5RNPY2RSIRT5
SCHEMBL31072586 0.87 NPY4R (0.41) NPY4RNPY1RNPY5RNPY2R
SCHEMBL31181284 0.86 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2RSIRT5
SCHEMBL31072445 0.85 NPY4R (0.41) NPY4RNPY1RNPY5RNPY2RSIRT5
SCHEMBL30472837 0.85 NOD1 (0.50) NPY4RNPY1RNPY5RNPY2RSIRT5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541456-B2 Roflumilast for the treatment of diabetes mellitus type 2 TAKEDA GMBH (DE) 2013-09-24 US disclosed
US-20120129817-A1 COMBINATION TREATMENT FOR DIABETES MELLITUS NYCOMED GMBH (DE) 2012-05-24 US disclosed
US-20110269750-A1 ROFLUMILAST FOR THE TREATMENT OF DIABETES MELLITUS NYCOMED GMBH (DE) 2011-11-03 US disclosed
US-20100179131-A1 Combination treatment for diabetes mellitus NYCOMED GMBH (DE) 2010-07-15 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 (3 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-20120129817-A1 COMBINATION TREATMENT FOR DIABETES MELLITUS GPR119, IAPP, MTNR1B NPY4R 86/4885NPY1R 214/4885NPY5R 639/4885
US-20110269750-A1 ROFLUMILAST FOR THE TREATMENT OF DIABETES MELLITUS PPARD, PPARA, PPARG NPY4R 178/4885NPY1R 497/4885NPY5R 501/4885
US-20100179131-A1 Combination treatment for diabetes mellitus GPR119, GLP1R, MTNR1B NPY4R 32/4885NPY1R 74/4885NPY5R 432/4885

“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.