SCHEMBL6773997

SCHEMBL6773997

CC(C)CC[C@H]1CN[C@H](C(=O)N[C@@H](C)C(=O)NN2C(=O)C(C)c3ccccc3-c3ccccc32)C1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 14/20 0.39
MASP2 O00187 7/20 0.38
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 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
SCHEMBL6773854 1.00 F2 (0.39) F2MASP2PSEN1PSEN2APH1B
SCHEMBL6771739 1.00 F2 (0.39) F2MASP2PSEN1PSEN2APH1B
SCHEMBL6768540 0.86 PSEN1 (0.38) F2MASP2PSEN1PSEN2APH1B
SCHEMBL6773274 0.80 PSEN1 (0.39) MASP2PSEN1PSEN2APH1BNCSTN
SCHEMBL6768537 0.79 PSEN1 (0.38) MASP2PSEN1PSEN2APH1BNCSTN
SCHEMBL6772193 0.79 PSEN1 (0.38) MASP2PSEN1PSEN2APH1BNCSTN
SCHEMBL6426665 0.78 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4985855 0.77 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6388119 0.77 CYP2C19 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6768524 0.77 EED (0.38) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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-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 F2 3303/4885MASP2 510/4885PSEN1 4/4885

“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.