SCHEMBL4022912

SCHEMBL4022912

O=C(CCc1ccccc1)NC1CCC(O)CC1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.62
EPHX1 P07099 1/20 0.61
MFN2 O95140 1/20 0.56
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
RECQL P46063 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
SIGMAR1 Q99720 1/20 0.52

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
SCHEMBL6700011 1.00 EPHX2 (0.62) EPHX2EPHX1MFN2HPGDHTT
SCHEMBL4180735 0.94 EPHX2 (0.69) EPHX2EPHX1HDAC2HDAC8HDAC6
SCHEMBL30645033 0.90 EPHX1 (0.77) EPHX2EPHX1MFN2HDAC2
SCHEMBL22289572 0.88 EPHX1 (0.75) EPHX2EPHX1MFN2HDAC2
SCHEMBL22289565 0.88 EPHX1 (0.75) EPHX2EPHX1MFN2HDAC2
SCHEMBL22289564 0.88 EPHX1 (0.75) EPHX2EPHX1MFN2HDAC2
SCHEMBL28554753 0.87 EPHX2 (0.80) EPHX2EPHX1HPGD
SCHEMBL17705940 0.87 EPHX2 (0.75) EPHX2EPHX1HPGDHDAC2HDAC8
SCHEMBL22289846 0.86 EPHX2 (0.54) EPHX2EPHX1MFN2HPGDHTT
SCHEMBL22289848 0.86 EPHX2 (0.54) EPHX2EPHX1MFN2HPGDHTT

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-2066318-A2 OXINDOLE DERIVATIVES AS ANTICANCER AGENTS F. Hoffmann-Roche AG (CH) 2009-06-10 EP disclosed
WO-2008034736-A2 OXINDOLE DERIVATIVES AS ANTICANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2008-03-27 WO disclosed
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-20040152715-A1 Cycloalkylene amide compounds as NR2B receptor antagonists KAWAI MAKOTO (JP) 2004-08-05 US 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

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-20040152715-A1 Cycloalkylene amide compounds as NR2B receptor antagonists GRIN1, GRIN3A, GRIN2A EPHX2 2150/4885EPHX1 2232/4885MFN2 4040/4885

“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.