SCHEMBL6149643

SCHEMBL6149643

CC(C)(C)OC(=O)N1CCC(CN2CCOC2=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.48
RECQL P46063 1/20 0.47
KDM4E B2RXH2 2/20 0.46
PKM P14618 1/20 0.46
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FAAH O00519 1/20 0.44
GPR119 Q8TDV5 5/20 0.44
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
BACE1 P56817 1/20 0.43
HPGD P15428 1/20 0.43
EPHX1 P07099 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL15865026 0.89 FAAH (0.48) RECQLKDM4EPKMUSP2SMN1; SMN2
SCHEMBL15864139 0.88 FAAH (0.50) RECQLKDM4EPKMFAAHGPR119
SCHEMBL25033884 0.81 RECQL (0.46) RECQLKDM4EPKMUSP2SMN1; SMN2
SCHEMBL26668749 0.81 FPR2 (0.45) FPR2RECQLKDM4EPKMUSP2
SCHEMBL2546063 0.81 FPR2 (0.48) FPR2RECQLKDM4EPKMFAAH
SCHEMBL2979718 0.79 BACE1 (0.47) FPR2RECQLKDM4EPKMUSP2
SCHEMBL25832564 0.78 FPR2 (0.48) FPR2RECQLKDM4EPKMFAAH
SCHEMBL189570 0.78 FPR2 (0.51) FPR2KDM4EPKMSMN1; SMN2GPR119
SCHEMBL2397802 0.77 RECQL (0.50) FPR2RECQLKDM4EUSP2SMN1; SMN2
SCHEMBL29056036 0.77 FPR2 (0.50) FPR2KDM4EPKMGPR119MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575586-A1 2-PYRIDYL AND 2-PYRIMIDYL CYCLOALKYLENE AMIDE COMPOUNDS AS NR2B RECEPTOR ANTAGONISTS Pfizer Japan Inc. (JP) 2005-09-21 EP disclosed
US-20050143391-A1 Heterocyclic amides with alpha-4 integrin antagonist activity J. Uriach Y Compañia S.A. (ES) 2005-06-30 US disclosed
EP-1495044-A1 HETEROCYCLIC AMIDES WITH ALPHA-4 INTEGRIN ANTAGONIST ACTIVITY J. Uriach y Compania S.A. (ES) 2005-01-12 EP disclosed
WO-2004054579-A1 2-PYRIDYL AND 2-PYRIMIDYL CYCLOALKYLENE AMIDE COMPOUNDS AS NR2B RECEPTOR ANTAGONISTS PFIZER JAPAN INC. (JP) 2004-07-01 WO disclosed
WO-2003084984-A1 HETEROCYCLIC AMIDES WITH ALPHA-4 INTEGRIN ANTAGONIST ACTIVITY J. URIACH Y COMPANIA S.A. (ES) 2003-10-16 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 (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-20050143391-A1 Heterocyclic amides with alpha-4 integrin antagonist activity ITGB4, ITGA4, ITGA1 FPR2 1268/4885RECQL 4751/4885KDM4E 470/4885

“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.