SCHEMBL6300214

SCHEMBL6300214

CN1C(=O)Cn2cnnc2-c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 7/20 0.47
GABRB3 P28472 7/20 0.47
GABRA5 P31644 7/20 0.47
GABRA1 P14867 1/20 0.43
CCKBR P32239 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
TTR P02766 3/20 0.40
CES1 P23141 1/20 0.40
ALDH1A1 P00352 5/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 2/20 0.37
BRPF1 P55201 1/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL11686324 0.81 GABRG2 (0.51) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL6870712 0.72 GABRG2 (0.61) GABRG2GABRB3GABRA5ALDH1A1
SCHEMBL11916094 0.69 TTR (0.53) GABRG2GABRB3GABRA5GABRA1CCKBR
SCHEMBL6299894 0.69 GABRP (0.46) GABRG2GABRB3GABRA5GABRA1CCKBR
SCHEMBL8054672 0.65 TTR (0.52) GABRG2GABRB3GABRA5GABRA1CCKBR
SCHEMBL14075304 0.65 TTR (0.47) GABRG2GABRB3GABRA5GABRA1CCKBR
SCHEMBL21761316 0.64 BRPF1 (0.48) GABRG2GABRB3GABRA5GABRA1CCKBR
SCHEMBL7086781 0.64 TTR (0.46) GABRG2GABRB3GABRA5GABRA1CCKBR
SCHEMBL4994391 0.63 KMT2A (0.53) GABRG2GABRB3GABRA5GABRA1CCKBR
SCHEMBL1368138 0.63 GABRA1 (0.63) GABRG2GABRB3GABRA5GABRA1CCKBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6838455-B2 Deoxyamino acid compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds ATHENA NEUROSCIENCES, INC. (US) 2005-01-04 US disclosed
EP-1093372-A4 CYCLIC AMINO ACID COMPOUNDS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING $g(b)-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS ELAN PHARM INC (US) 2004-09-29 EP disclosed
US-6696438-B2 AMYLOID PRECURSOR PROTEIN ANTAGONISTS, 3-((N'-(3-PYRIDINOYL)-L -ALANINYL)-AMINO-3-METHYL-4,5,6,7-TETRAHYDRO-2H-3-BENZAZEPIN-2-ONE, USED FOR PROPHYLAXIS OF NEURODEGENERATIVE DISEASES SUCH AS ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. 2004-02-24 US disclosed
US-20030162768-A1 Cyclic amino acid compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds AUDIA JAMES E (US) 2003-08-28 US disclosed
US-20030149022-A1 Deoxyamino acid compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds AUDIA JAMES E (US) 2003-08-07 US disclosed
US-6552013-B1 For therapy of Alzheimer's disease ELAN PHARMACEUTICALS, INC. 2003-04-22 US disclosed
US-6528505-B1 Treating Alzheimer's disease;5-(S)-(N'-(L-prolyl)-L-alaninyl)-amino-7-methyl-5,7-di hydro-6H- dibenz(b,d)azepin-one ELAN PHARMACEUTICALS, INC. 2003-03-04 US disclosed
EP-1093372-A1 CYCLIC AMINO ACID COMPOUNDS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING $g(b)-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS Elan Pharmaceuticals, Inc. (US) 2001-04-25 EP disclosed
EP-1089977-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 2001-04-11 EP disclosed
WO-1999066934-A1 CYCLIC AMINO ACID 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) 1999-12-29 WO disclosed
WO-1999067219-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 (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-20030162768-A1 Cyclic amino acid compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds APP, IAPP, BACE1 GABRG2 1473/4885GABRB3 942/4885GABRA5 1119/4885
US-20030149022-A1 Deoxyamino acid compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds APP, IAPP, BACE1 GABRG2 2708/4885GABRB3 1654/4885GABRA5 1703/4885

“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.