SCHEMBL675899

SCHEMBL675899

C[C@@H](O)[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 4/20 0.50
ACE P12821 2/20 0.50
NPY4R P50391 6/20 0.48
NPY1R P25929 3/20 0.48
NPY2R P49146 2/20 0.48
NPY5R Q15761 2/20 0.48
OPRD1 P41143 3/20 0.47
OPRM1 P35372 2/20 0.47
OPRK1 P41145 1/20 0.47

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
SCHEMBL675898 1.00 KISS1R (0.50) KISS1RACENPY4RNPY1RNPY2R
SCHEMBL30656932 0.94 KISS1R (0.57) KISS1RNPY4RNPY1RNPY2RNPY5R
SCHEMBL30252365 0.92 MME (0.51) KISS1RACENPY4RNPY1RNPY2R
SCHEMBL29697013 0.92 MME (0.51) KISS1RACENPY4RNPY1RNPY2R
SCHEMBL31028236 0.91 OPRD1 (0.49) KISS1RACENPY4RNPY1RNPY2R
SCHEMBL29528212 0.88 OPRD1 (0.57) KISS1RACENPY4RNPY1RNPY2R
SCHEMBL29409591 0.86 OPRD1 (0.54) NPY4RNPY1RNPY2ROPRD1OPRM1
SCHEMBL30656936 0.86 OPRM1 (0.53) KISS1RNPY4RNPY1RNPY2RNPY5R
SCHEMBL30799540 0.86 OPRD1 (0.54) KISS1ROPRD1OPRM1OPRK1
SCHEMBL31406596 0.85 KISS1R (0.53) KISS1RACENPY4RNPY1RNPY2R

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 KISS1R 3444/4885ACE 531/4885NPY4R 86/4885
US-20110269750-A1 ROFLUMILAST FOR THE TREATMENT OF DIABETES MELLITUS PPARD, PPARA, PPARG KISS1R 1372/4885ACE 988/4885NPY4R 178/4885

“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.