SCHEMBL4887015

SCHEMBL4887015

CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@@H](O)C[C@@H](C)C(=O)NCCc2ccccc2)c1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.70
BACE2 Q9Y5Z0 16/20 0.70
CTSD P07339 4/20 0.62
CTSE P14091 3/20 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
SCHEMBL7612190 1.00 BACE1 (0.70) BACE1BACE2CTSDCTSE
SCHEMBL4889542 0.93 BACE1 (0.75) BACE1BACE2CTSDCTSE
SCHEMBL7607871 0.93 BACE1 (0.75) BACE1BACE2CTSDCTSE
SCHEMBL4888823 0.89 BACE1 (0.67) BACE1BACE2CTSD
SCHEMBL7603970 0.89 BACE1 (0.67) BACE1BACE2CTSD
SCHEMBL4887067 0.88 BACE1 (0.68) BACE1BACE2CTSDCTSE
SCHEMBL4889675 0.88 BACE1 (0.83) BACE1BACE2CTSD
SCHEMBL7603961 0.88 BACE1 (0.83) BACE1BACE2CTSD
SCHEMBL4882318 0.87 BACE1 (0.69) BACE1BACE2CTSD
SCHEMBL3351088 0.87 BACE1 (0.84) BACE1BACE2CTSDCTSE

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
US-20040214846-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS, INC. 2004-10-28 US claimed
US-20020022623-A1 Compounds to treat alzheimer's disease ELAN PHARMACEUTICALS, INC. 2002-02-21 US claimed
US-20020019403-A1 Methods to treat alzheimer's disease ELAN PHARMACEUTICALS, INC. 2002-02-14 US claimed
US-20080058336-A1 Methods to Treat Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2008-03-06 US disclosed
US-20060287306-A1 Compounds to treat alzheimer's disease ELAN PHARMACEUTICALS, INC. 2006-12-21 US disclosed
US-20060276642-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS, INC. 2006-12-07 US disclosed
EP-1265849-B1 COMPOUNDS AND METHODS TO TREAT ALZHEIMER'S DISEASE ELAN PHARM INC (US) 2006-10-25 EP disclosed
US-7119085-B2 Methods to treat alzheimer's disease ELAN PHARMACEUTICALS, INC. (US) 2006-10-10 US disclosed
US-7030239-B2 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS, INC. (US) 2006-04-18 US disclosed
US-6992081-B2 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS, INC. (US) 2006-01-31 US disclosed
US-20040214846-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS, INC. 2004-10-28 US disclosed
US-6737420-B2 A SUBSTITUTED HYDROXYETHYLENE COMPOUND USEFUL FOR TREATING ALZHEIMER'S DISEASE, MILD COGNITIVE IMPAIRMENT, DOWN'S SYNDROME, HEREDIATARY CEREBRAL HEMMORRHAGE WITH AMYLOIDOSIS, DEGENERATIVE DEMENTIA ELAN PHARMACEUTICALS, INC. 2004-05-18 US disclosed
US-20020022623-A1 Compounds to treat alzheimer's disease ELAN PHARMACEUTICALS, INC. 2002-02-21 US disclosed
US-20020019403-A1 Methods to treat alzheimer's disease ELAN PHARMACEUTICALS, INC. 2002-02-14 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 (6 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-20040214846-A1 Compounds to treat Alzheimer's disease PSEN1, PSEN2, BACE1 BACE1 3/4885BACE2 8/4885CTSD 1953/4885
US-20060276642-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, BCHE BACE1 5/4885BACE2 8/4885CTSD 1453/4885
US-20020019403-A1 Methods to treat alzheimer's disease PSEN1, PSEN2, BACE1 BACE1 3/4885BACE2 9/4885CTSD 2159/4885
US-20060287306-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, APP BACE1 5/4885BACE2 9/4885CTSD 1945/4885
US-20080058336-A1 Methods to Treat Alzheimer's Disease PSEN2, PSEN1, ACHE BACE1 9/4885BACE2 8/4885CTSD 1469/4885
US-20020022623-A1 Compounds to treat alzheimer's disease PSEN1, PSEN2, BACE1 BACE1 3/4885BACE2 8/4885CTSD 1953/4885

“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.