SCHEMBL2849565

SCHEMBL2849565

O=C(O)NC1C2CCC1CN(Cc1ccccc1)C2

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.50
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
KMT2A Q03164 1/20 0.50
S1PR1 P21453 1/20 0.50
S1PR5 Q9H228 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
FUCA1 P04066 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.47
KDM1A O60341 1/20 0.47

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
SCHEMBL21737968 0.88 GRIN2B (0.48) GRIN2BDRD2DRD4DRD3KMT2A
SCHEMBL16497761 0.83 CACNA1B (0.51) GRIN2BDRD2DRD4DRD3KMT2A
SCHEMBL2421730 0.83 CACNA1B (0.51) GRIN2BDRD2DRD4DRD3KMT2A
SCHEMBL2420238 0.83 CACNA1B (0.51) GRIN2BDRD2DRD4DRD3KMT2A
SCHEMBL2082398 0.82 KMT2A (0.57) GRIN2BDRD2KMT2AL3MBTL1
SCHEMBL18423386 0.81 ROCK2 (0.49) DRD2DRD4DRD3KMT2ASIGMAR1
SCHEMBL16032775 0.81 POLB (0.47) GRIN2BDRD2DRD4DRD3KMT2A
SCHEMBL16032773 0.81 POLB (0.47) GRIN2BDRD2DRD4DRD3KMT2A
SCHEMBL18423389 0.81 ROCK2 (0.49) DRD2DRD4DRD3KMT2ASIGMAR1
SCHEMBL16032771 0.81 POLB (0.47) GRIN2BDRD2DRD4DRD3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3902779-A1 PROCESS FOR THE PREPARATION EXO-TERT-BUTYL N-(3-AZABICYCLO[3.2.1]OCTAN-8-YL)CARBAMATE F. Hoffmann-La Roche AG (CH) 2021-11-03 EP disclosed
WO-2020136188-A1 PROCESS FOR THE PREPARATION EXO-TERT-BUTYL N-(3-AZABICYCLO[3.2.1]OCTAN-8-YL)CARBAMATE F. HOFFMANN-LA ROCHE AG (CH) 2020-07-02 WO disclosed
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 GRIN2B 1852/4885DRD2 2579/4885DRD4 884/4885
US-20100160328-A1 NEW COMPOUNDS USEFUL FOR DPP-IV ENZYME INHIBITION DPP4, DPP7, DPP9 GRIN2B 1852/4885DRD2 2579/4885DRD4 884/4885

“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.