SCHEMBL4421130

SCHEMBL4421130

CN1C(=O)C(NC(=O)CNc2ccccc2)N=C(c2ccccc2)c2ccccc21

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 12/20 0.73
HDAC3 O15379 5/20 0.70
HDAC4 P56524 5/20 0.70
HDAC1 Q13547 5/20 0.70
HDAC7 Q8WUI4 5/20 0.70
HDAC2 Q92769 5/20 0.70
HDAC10 Q969S8 5/20 0.70
HDAC11 Q96DB2 5/20 0.70
HDAC8 Q9BY41 5/20 0.70
HDAC6 Q9UBN7 5/20 0.70
HDAC9 Q9UKV0 5/20 0.70
HDAC5 Q9UQL6 5/20 0.70
KCNH2 Q12809 1/20 0.65

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
SCHEMBL7093265 1.00 CCKBR (0.73) CCKBRHDAC3HDAC4HDAC1HDAC7
SCHEMBL4414693 1.00 CCKBR (0.73) CCKBRHDAC3HDAC4HDAC1HDAC7
SCHEMBL8611094 0.91 CCKBR (0.77) CCKBRHDAC3HDAC4HDAC1HDAC7
SCHEMBL7213625 0.90 HDAC3 (0.73) CCKBRHDAC3HDAC4HDAC1HDAC7
SCHEMBL8608802 0.90 HDAC3 (0.73) CCKBRHDAC3HDAC4HDAC1HDAC7
SCHEMBL29499518 0.89 HDAC3 (0.75) CCKBRHDAC3HDAC4HDAC1HDAC7
SCHEMBL8617432 0.89 HDAC3 (0.75) CCKBRHDAC3HDAC4HDAC1HDAC7
SCHEMBL29437013 0.89 HDAC3 (0.75) CCKBRHDAC3HDAC4HDAC1HDAC7
SCHEMBL8611083 0.87 CCKBR (0.74) CCKBRHDAC3HDAC4HDAC1HDAC7
SCHEMBL7092092 0.86 HDAC3 (0.74) CCKBRHDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0951466-B1 CYCLOALKYL, LACTAM, LACTONE AND RELATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS ELAN PHARM INC (US) 2009-01-21 EP disclosed
US-20050267150-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds THOMPSON RICHARD C 2005-12-01 US disclosed
US-20050192269-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds THOMPSON RICHARD C (US) 2005-09-01 US disclosed
US-20050192265-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds THOMPSON RICHARD C (US) 2005-09-01 US disclosed
US-6906056-B2 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting β-amyloid peptide release and/or its synthesis by use of such compounds ELAN PHARMACEUTICALS, INC. (US) 2005-06-14 US disclosed
US-20040106598-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting Beta-amyloid peptide release and/or its synthesis by use of such compounds THOMPSON RICHARD C (US) 2004-06-03 US disclosed
US-6569851-B1 Treating Alzheimer's disease ELAN PHARMACEUTIALS, INC. 2003-05-27 US disclosed
EP-1089980-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 2001-04-11 EP disclosed
WO-1999067221-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1999-12-29 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 (4 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-20050267150-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds BACE1, APP, BACE2 CCKBR 218/4885HDAC3 3895/4885HDAC4 3495/4885
US-20050192265-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds BACE1, APP, BACE2 CCKBR 218/4885HDAC3 3895/4885HDAC4 3495/4885
US-20040106598-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting Beta-amyloid peptide release and/or its synthesis by use of such compounds BACE1, APP, BACE2 CCKBR 254/4885HDAC3 3928/4885HDAC4 3553/4885
US-20050192269-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds BACE1, APP, BACE2 CCKBR 218/4885HDAC3 3895/4885HDAC4 3495/4885

“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.