SCHEMBL2842224

SCHEMBL2842224

N#C[C@@H]1CC(F)(F)CN1C(=O)CNC12CC3CC(C1)CC(NC(=O)c1ccc(Cl)cc1)(C3)C2

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FAP Q12884 13/20 0.54
PREP P48147 12/20 0.54
DPP4 P27487 5/20 0.46
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44

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
SCHEMBL2847195 0.89 DPP4 (0.52) FAPPREPDPP4DPP8DPP9
Hydrochloric Acid SCHEMBL2841470 0.88 DPP4 (0.51) FAPPREPDPP4DPP8DPP9
SCHEMBL2847963 0.85 PREP (0.47) FAPPREPDPP4DPP8DPP9
SCHEMBL5748938 0.85 PREP (0.47) FAPPREPDPP4DPP8DPP9
SCHEMBL301874 0.83 FAP (0.47) FAPPREPDPP4DPP8DPP9
SCHEMBL2852307 0.80 DPP4 (0.49) FAPPREPDPP4DPP8DPP9
SCHEMBL2847896 0.80 FAP (0.52) FAPPREPDPP4DPP8DPP9
SCHEMBL2849687 0.79 FAP (0.45) FAPPREPDPP4DPP8DPP9
SCHEMBL301976 0.79 FAP (0.45) FAPPREPDPP4DPP8DPP9
SCHEMBL2849682 0.79 FAP (0.45) FAPPREPDPP4DPP8DPP9

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 7 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
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 claimed
US-20060276487-A1 New compounds useful for DPP-IV enzyme inhibition SANOFI-AVENTIS (FR) 2006-12-07 US 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

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 FAP 22/4885PREP 29/4885DPP4 1/4885
US-20100160328-A1 NEW COMPOUNDS USEFUL FOR DPP-IV ENZYME INHIBITION DPP4, DPP7, DPP9 FAP 22/4885PREP 29/4885DPP4 1/4885

“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.