SCHEMBL676220

SCHEMBL676220

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nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.48
BACE2 Q9Y5Z0 4/20 0.48
OPRD1 P41143 3/20 0.46
OPRM1 P35372 2/20 0.45
CASP3 P42574 1/20 0.44
CASP7 P55210 1/20 0.44
IL1RN P18510 1/20 0.43
ERAP2 Q6P179 1/20 0.43
OPRK1 P41145 1/20 0.43

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
SCHEMBL676879 0.85 BACE1 (0.56) BACE1BACE2OPRD1
SCHEMBL31538481 0.83 BACE1 (0.57) BACE1BACE2OPRD1OPRM1OPRK1
SCHEMBL32672583 0.83 OPRD1 (0.54) BACE1BACE2OPRD1OPRM1CASP3
SCHEMBL31500682 0.82 ENPEP (0.54) OPRD1OPRM1CASP3CASP7IL1RN
SCHEMBL2198060 0.82 CASP3 (0.36) BACE1BACE2CASP3CASP7
SCHEMBL31195269 0.81 MME (0.50) OPRD1OPRM1IL1RNERAP2
SCHEMBL29860725 0.81 OPRM1 (0.53) BACE1BACE2OPRD1OPRM1CASP3
SCHEMBL30123741 0.81 BACE1 (0.59) BACE1BACE2OPRD1OPRM1OPRK1
SCHEMBL2193224 0.80 OPRM1 (0.50) BACE1BACE2OPRD1OPRM1OPRK1
SCHEMBL30350510 0.80 ACE (0.48) OPRD1OPRM1

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 5 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
US-20100047762-A1 METHOD TO MONITOR DRUG EFFICACY IN DIABETIC PATIENTS USING AN ASSAY FOR 1,5-ANHYDRO-D-GLUCITOL NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-02-25 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 BACE1 1760/4885BACE2 763/4885OPRD1 640/4885
US-20110269750-A1 ROFLUMILAST FOR THE TREATMENT OF DIABETES MELLITUS PPARD, PPARA, PPARG BACE1 4076/4885BACE2 2622/4885OPRD1 1163/4885
US-20100179131-A1 Combination treatment for diabetes mellitus GPR119, GLP1R, MTNR1B BACE1 1708/4885BACE2 612/4885OPRD1 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.