SCHEMBL2849569

SCHEMBL2849569

N#C[C@H]1COCN1C(=O)CNC12CC3CC(C1)CC(Nc1ncccn1)(C3)C2

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.49
DPP8 Q6V1X1 4/20 0.49
DPP9 Q86TI2 4/20 0.49
FAP Q12884 1/20 0.49
GLMN Q92990 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
SCHEMBL5439836 1.00 DPP4 (0.49) DPP4DPP8DPP9FAPGLMN
SCHEMBL2851493 0.85 PREP (0.49) DPP4DPP8DPP9FAP
Hydrochloric Acid SCHEMBL2841474 0.84 PREP (0.49) DPP4DPP8DPP9FAP
SCHEMBL13025339 0.84 DPP4 (0.68) DPP4DPP8DPP9FAP
SCHEMBL2847016 0.83 DPP4 (0.47) DPP4DPP8DPP9FAPGLMN
SCHEMBL2844518 0.83 DPP4 (0.69) DPP4DPP8DPP9FAP
SCHEMBL12402239 0.77 DPP8 (0.43) DPP4DPP8DPP9FAPGLMN
SCHEMBL12187302 0.77 DPP4 (0.50) DPP4DPP8DPP9FAPGLMN
SCHEMBL13067162 0.77 DPP4 (0.50) DPP4DPP8DPP9FAPGLMN
SCHEMBL2847904 0.76 DPP4 (0.46) DPP4DPP8DPP9FAP

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160328-A1 NEW COMPOUNDS USEFUL FOR DPP-IV ENZYME INHIBITION SANOFI-AVENTIS (FR) 2010-06-24 US claimed
JP-2007504120-A 2007-03-01 JP claimed
US-20060276487-A1 New compounds useful for DPP-IV enzyme inhibition SANOFI-AVENTIS (FR) 2006-12-07 US claimed
EP-1664031-A2 ADAMANTANE AND AZABICYCLO-OCTANE AND NONANE DERIVATIVES PROCESS OF THEIR PREPARATION AND THEIR USE AS DPP-IV INHIBITORS Sanofi-Aventis (FR) 2006-06-07 EP claimed
WO-2005021536-A2 ADAMANTANE AND AZABICYCLO-OCTANE AND NONANE DERIVATIVES, PROCESS OF THEIR PREPARATION AND THEIR USE AS DPP-IV INHIBITORS SANOFI-AVENTIS (FR) 2005-03-10 WO claimed
US-20100160328-A1 NEW COMPOUNDS USEFUL FOR DPP-IV ENZYME INHIBITION SANOFI-AVENTIS (FR) 2010-06-24 US disclosed
US-7652021-B2 (2S)-4,4-difluoro-1-{N-[3-(pyrimidin-2-ylamino)-1-adamantyl]glycyl}pyrrolidine-2-carbonitrile; dipeptidyl peptidase IV enzyme inhibitors; non-insulin dependent diabetes mellitus SANOFI-AVENTIS (FR) 2010-01-26 US disclosed
EP-1664031-B1 ADAMANTANE AND AZABICYCLO-OCTANE AND NONANE DERIVATIVES PROCESS OF THEIR PREPARATION AND THEIR USE AS DPP-IV INHIBITORS SANOFI AVENTIS (FR) 2007-12-19 EP disclosed
US-20060276487-A1 New compounds useful for DPP-IV enzyme inhibition SANOFI-AVENTIS (FR) 2006-12-07 US disclosed
EP-1664031-A2 ADAMANTANE AND AZABICYCLO-OCTANE AND NONANE DERIVATIVES PROCESS OF THEIR PREPARATION AND THEIR USE AS DPP-IV INHIBITORS Sanofi-Aventis (FR) 2006-06-07 EP disclosed
WO-2005021536-A2 ADAMANTANE AND AZABICYCLO-OCTANE AND NONANE DERIVATIVES, PROCESS OF THEIR PREPARATION AND THEIR USE AS DPP-IV INHIBITORS SANOFI-AVENTIS (FR) 2005-03-10 WO 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-20060276487-A1 New compounds useful for DPP-IV enzyme inhibition DPP4, DPP7, DPP9 DPP4 1/4885DPP8 5/4885DPP9 3/4885
US-20100160328-A1 NEW COMPOUNDS USEFUL FOR DPP-IV ENZYME INHIBITION DPP4, DPP7, DPP9 DPP4 1/4885DPP8 5/4885DPP9 3/4885

“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.