SCHEMBL5098448

SCHEMBL5098448

CCCN(CCC)C(=O)c1cc(C)cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)CNOc2ccccc2)c1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.76
BACE2 Q9Y5Z0 6/20 0.76
CTSD P07339 5/20 0.68
CTSE P14091 1/20 0.67

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
SCHEMBL3347302 0.88 BACE1 (0.81) BACE1BACE2CTSDCTSE
SCHEMBL3353951 0.87 BACE1 (0.77) BACE1BACE2CTSDCTSE
SCHEMBL3349454 0.86 BACE1 (1.00) BACE1BACE2CTSD
SCHEMBL3348990 0.86 BACE1 (1.00) BACE1BACE2CTSD
SCHEMBL3350500 0.86 BACE1 (0.77) BACE1BACE2CTSDCTSE
SCHEMBL3350491 0.86 BACE1 (0.77) BACE1BACE2CTSDCTSE
SCHEMBL5099109 0.86 BACE1 (0.77) BACE1BACE2CTSDCTSE
SCHEMBL3348399 0.85 BACE1 (0.81) BACE1BACE2CTSDCTSE
SCHEMBL3351088 0.85 BACE1 (0.84) BACE1BACE2CTSDCTSE
SCHEMBL5180653 0.85 BACE1 (0.76) BACE1BACE2CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1666452-A2 Compounds to treat Alzheimer's disease Elan Pharmaceuticals, Inc. (US) 2006-06-07 EP claimed
US-7034182-B2 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS, INC. (US) 2006-04-25 US claimed
EP-1299352-B1 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARM INC (US) 2005-12-28 EP claimed
EP-1299352-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-04-09 EP claimed
US-20020016320-A1 Compounds to treat alzheimer's disease ELAN PHARMACEUTICALS, INC. 2002-02-07 US claimed
WO-2002002506-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed
US-7432389-B2 Compounds for the treatment of Alzheimer's disease ELAN PHARMACEUTICALS, INC. (US) 2008-10-07 US disclosed
US-7432389-B2 Compounds for the treatment of Alzheimer's disease ELAN PHARMACEUTICALS, INC. (US) 2008-10-07 US disclosed
US-7432389-B2 Compounds for the treatment of Alzheimer's disease ELAN PHARMACEUTICALS, INC. (US) 2008-10-07 US disclosed
US-20060211860-A1 Compounds for the treatment of Alzheimer's disease ELAN PHARMACEUTICALS, INC. 2006-09-21 US disclosed
EP-1666452-A2 Compounds to treat Alzheimer's disease Elan Pharmaceuticals, Inc. (US) 2006-06-07 EP disclosed
EP-1299352-B1 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARM INC (US) 2005-12-28 EP disclosed
EP-1299352-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-04-09 EP disclosed
WO-2002002506-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 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-20020016320-A1 Compounds to treat alzheimer's disease PSEN1, PSEN2, CHAT BACE1 6/4885BACE2 11/4885CTSD 1523/4885
US-20060211860-A1 Compounds for the treatment of Alzheimer's disease PSEN2, PSEN1, CHAT BACE1 12/4885BACE2 49/4885CTSD 2317/4885

“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.