SCHEMBL5111040

SCHEMBL5111040

O=C1CCCC(=O)NC(C(O)CNCc2cccc(C(F)(F)F)c2)Cc2cc(F)cc(c2)OCCCCN1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.51
CTSD P07339 6/20 0.43
CTSE P14091 2/20 0.43
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36

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
SCHEMBL14013471 1.00 BACE1 (0.51) BACE1CTSDCTSEADRB2ADRB1
SCHEMBL5098600 0.98 BACE1 (0.52) BACE1CTSDCTSEADRB2ADRB1
SCHEMBL14013562 0.98 BACE1 (0.52) BACE1CTSDCTSEADRB2ADRB1
SCHEMBL4825081 0.92 BACE1 (0.47) BACE1CTSDCTSEADRB2ADRB1
SCHEMBL14017986 0.92 BACE1 (0.47) BACE1CTSDCTSEADRB2ADRB1
SCHEMBL14018031 0.91 BACE1 (0.46) BACE1CTSDCTSEADRB2ADRB1
SCHEMBL4827388 0.91 BACE1 (0.46) BACE1CTSDCTSEADRB2ADRB1
SCHEMBL5105558 0.91 BACE1 (0.54) BACE1CTSDCTSE
SCHEMBL14013467 0.91 BACE1 (0.54) BACE1CTSDCTSE
SCHEMBL5110953 0.89 BACE1 (0.55) BACE1CTSDCTSE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456163-B2 Macrocycles useful in the treatment of alzheimer's disease ELAN PHARMACEUTICALS, INC. (US) 2008-11-25 US claimed
US-7067507-B2 Macrocycles useful in the treatment of Alzheimer's disease PHARMACIA & UPJOHN COMPANY (US) 2006-06-27 US claimed
US-20060003978-A1 Macrocycles useful in the treatment of alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2006-01-05 US claimed
US-20030236240-A1 Macrocycles useful in the treatment of alzheimer's disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
US-7456163-B2 Macrocycles useful in the treatment of alzheimer's disease ELAN PHARMACEUTICALS, INC. (US) 2008-11-25 US disclosed
US-7067507-B2 Macrocycles useful in the treatment of Alzheimer's disease PHARMACIA & UPJOHN COMPANY (US) 2006-06-27 US disclosed
US-20060003978-A1 Macrocycles useful in the treatment of alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2006-01-05 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-20060003978-A1 Macrocycles useful in the treatment of alzheimer's disease BACE1, APP, BACE2 BACE1 1/4885CTSD 70/4885CTSE 41/4885
US-20030236240-A1 Macrocycles useful in the treatment of alzheimer's disease BACE1, APP, PSEN1 BACE1 1/4885CTSD 97/4885CTSE 62/4885

“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.