SCHEMBL677175

SCHEMBL677175

C[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1[C]=O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 4/20 0.39
▸ DPP4 P27487 2/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ REN P00797 4/20 0.34
▸ CTSB P07858 1/20 0.34
▸ BDKRB2 P30411 1/20 0.33

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
SCHEMBL29396694 0.91 CAPN1 (0.41) CAPN1OPRM1OPRD1RENCTSB
SCHEMBL31115696 0.91 CAPN1 (0.41) CAPN1OPRM1OPRD1RENCTSB
SCHEMBL31259075 0.90 CAPN1 (0.44) CAPN1OPRM1OPRD1CTSBBDKRB2
SCHEMBL30211634 0.89 CAPN1 (0.43) CAPN1OPRM1OPRD1RENCTSB
SCHEMBL29376028 0.89 OPRM1 (0.43) CAPN1OPRM1OPRD1RENCTSB
SCHEMBL29375930 0.89 OPRM1 (0.43) CAPN1OPRM1OPRD1RENCTSB
SCHEMBL29757422 0.88 CAPN1 (0.51) CAPN1OPRM1OPRD1CTSB
SCHEMBL30139043 0.87 REN (0.39) OPRM1OPRD1REN
SCHEMBL31140016 0.86 CAPN1 (0.41) CAPN1OPRM1OPRD1RENBDKRB2
SCHEMBL30013216 0.86 CAPN1 (0.41) CAPN1OPRM1OPRD1RENBDKRB2

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 2 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-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 (1 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-20110269750-A1 ROFLUMILAST FOR THE TREATMENT OF DIABETES MELLITUS PPARD, PPARA, PPARG CAPN1 2238/4885DPP4 64/4885OPRM1 1150/4885

“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.

Send feedback