SCHEMBL4887760

SCHEMBL4887760

COc1cccc(-c2cccc(C3(c4ccncc4)N=C(N)N4CCCN=C43)c2)c1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 1.00
CTSD P07339 11/20 0.68
BACE2 Q9Y5Z0 10/20 0.68
REN P00797 1/20 0.59

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
SCHEMBL4883754 0.87 BACE1 (0.77) BACE1CTSDBACE2REN
SCHEMBL4894705 0.86 BACE1 (0.76) BACE1CTSDBACE2REN
SCHEMBL4881855 0.86 BACE1 (0.75) BACE1CTSDBACE2REN
SCHEMBL4887664 0.86 BACE1 (1.00) BACE1CTSDBACE2
SCHEMBL4885159 0.85 BACE1 (0.76) BACE1CTSDBACE2REN
SCHEMBL2795876 0.84 BACE1 (0.79) BACE1CTSDBACE2REN
SCHEMBL4883718 0.83 BACE1 (0.76) BACE1CTSDBACE2REN
SCHEMBL4894732 0.81 BACE1 (0.68) BACE1CTSDBACE2REN
SCHEMBL4891552 0.81 BACE1 (0.69) BACE1CTSDBACE2REN
SCHEMBL4062984 0.81 BACE1 (1.00) BACE1CTSDBACE2REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080058349-A1 New Compounds 318 ASTRAZENECA AB (SE) 2008-03-06 US claimed
US-20070299087-A1 New Compounds 319 ASTRAZENECA AB (SE) 2007-12-27 US claimed
US-20080058349-A1 New Compounds 318 ASTRAZENECA AB (SE) 2008-03-06 US disclosed
US-20070299087-A1 New Compounds 319 ASTRAZENECA AB (SE) 2007-12-27 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 (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-20070299087-A1 New Compounds 319 PSEN2, PSEN1, MAPT BACE1 4/4885CTSD 2006/4885BACE2 16/4885
US-20080058349-A1 New Compounds 318 PSEN2, PSEN1, MAPT BACE1 5/4885CTSD 1887/4885BACE2 19/4885

“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.