SCHEMBL677433

SCHEMBL677433

C[C@@H](O)[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]([C]=O)[C@@H](C)O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GLP1R P43220 7/20 0.43
SCTR P47872 1/20 0.43
OPRD1 P41143 7/20 0.43
OPRM1 P35372 6/20 0.43
OPRK1 P41145 3/20 0.42
KEAP1 Q14145 2/20 0.42
OPRL1 P41146 1/20 0.41
SYK P43405 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
SCHEMBL677186 0.95 GLP1R (0.45) GLP1RSCTROPRD1OPRM1OPRK1
SCHEMBL31253154 0.91 GLP1R (0.45) GLP1RSCTROPRD1OPRM1OPRK1
SCHEMBL19329047 0.91 OPRM1 (0.47) GLP1RSCTROPRD1OPRM1OPRK1
SCHEMBL2193928 0.88 GLO1 (0.34) GLP1RSCTROPRD1OPRM1OPRK1
SCHEMBL3125104 0.87 GLP1R (0.43) GLP1RSCTROPRD1OPRM1OPRK1
SCHEMBL677176 0.87 GLP1R (0.43) GLP1RSCTROPRD1OPRM1OPRK1
SCHEMBL2468098 0.87 GLP1R (0.50) GLP1RSCTROPRD1OPRM1OPRK1
SCHEMBL2465543 0.85 GLP1R (0.50) GLP1RSCTROPRD1OPRM1OPRK1
SCHEMBL29375435 0.85 GLP1R (0.51) GLP1RSCTROPRD1OPRM1OPRK1
SCHEMBL29616372 0.84 GLP1R (0.56) GLP1RSCTROPRD1OPRM1OPRK1

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 GLP1R 5/4885SCTR 575/4885OPRD1 640/4885
US-20110269750-A1 ROFLUMILAST FOR THE TREATMENT OF DIABETES MELLITUS PPARD, PPARA, PPARG GLP1R 33/4885SCTR 1216/4885OPRD1 1163/4885
US-20100179131-A1 Combination treatment for diabetes mellitus GPR119, GLP1R, MTNR1B GLP1R 2/4885SCTR 804/4885OPRD1 477/4885

“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.