SCHEMBL4517541

SCHEMBL4517541

COc1ccc2c(c1C)CCc1ccc(-c3cc(F)ccc3F)cc1C21N=C(N)N(C)C1=O

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.71
CTSD P07339 9/20 0.49
BACE2 Q9Y5Z0 8/20 0.49
REN P00797 2/20 0.49

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
SCHEMBL4514245 0.88 BACE1 (0.78) BACE1CTSDBACE2REN
SCHEMBL4521613 0.86 BACE1 (0.77) BACE1CTSDBACE2REN
SCHEMBL4509526 0.85 BACE1 (0.69) BACE1CTSDBACE2REN
SCHEMBL4513073 0.83 BACE1 (1.00) BACE1CTSDBACE2REN
SCHEMBL4516116 0.83 BACE1 (1.00) BACE1CTSDBACE2REN
SCHEMBL4516333 0.83 BACE1 (1.00) BACE1CTSDBACE2REN
SCHEMBL4516633 0.82 BACE1 (0.77) BACE1CTSDBACE2
SCHEMBL4507469 0.81 BACE1 (0.73) BACE1CTSD
SCHEMBL4501686 0.81 BACE1 (0.82) BACE1CTSDBACE2REN
SCHEMBL4501534 0.79 BACE1 (0.72) BACE1CTSDBACE2

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-7582667-B2 Dihydrospiro[dibenzo[a,d][7]annulene-5,4′-imidazol] compounds for the inhibition of beta-secretase WYETH (US) 2009-09-01 US claimed
US-20070203116-A1 Dihydrospiro[dibenzo[a,d][7]annulene-5,4'-imidazol] compounds for the inhibition of beta-secretase WYETH (US) 2007-08-30 US claimed
US-7582667-B2 Dihydrospiro[dibenzo[a,d][7]annulene-5,4′-imidazol] compounds for the inhibition of beta-secretase WYETH (US) 2009-09-01 US disclosed
US-20070203116-A1 Dihydrospiro[dibenzo[a,d][7]annulene-5,4'-imidazol] compounds for the inhibition of beta-secretase WYETH (US) 2007-08-30 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-20070203116-A1 Dihydrospiro[dibenzo[a,d][7]annulene-5,4'-imidazol] compounds for the inhibition of beta-secretase BACE1, BACE2, APP BACE1 1/4885CTSD 119/4885BACE2 2/4885

“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.