SCHEMBL676213

SCHEMBL676213

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@H]([C]=O)CO)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 8/20 0.47
▸ CTSD P07339 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
SCHEMBL3193504 0.85 GLP1R (0.48) BACE1CTSD
SCHEMBL2193343 0.84 BACE1 (0.45) BACE1CTSD
SCHEMBL31721844 0.82 OPRM1 (0.53) BACE1
SCHEMBL31510665 0.82 BACE1 (0.52) BACE1
SCHEMBL2191774 0.82 BACE1 (0.40) BACE1CTSD
SCHEMBL30873786 0.82 BACE1 (0.48) BACE1CTSD
SCHEMBL30342536 0.82 BACE1 (0.51) BACE1CTSD
SCHEMBL31307241 0.82 BACE1 (0.57) BACE1CTSD
SCHEMBL29797970 0.81 BACE1 (0.53) BACE1CTSD
SCHEMBL28964063 0.81 BACE1 (0.59) BACE1CTSD

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 BACE1 1760/4885CTSD 3330/4885
US-20110269750-A1 ROFLUMILAST FOR THE TREATMENT OF DIABETES MELLITUS PPARD, PPARA, PPARG BACE1 4076/4885CTSD 1691/4885

“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.

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