SCHEMBL3904995

SCHEMBL3904995

CCCN(CC)C(=O)c1cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)ccc1O

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.77
BACE2 Q9Y5Z0 1/20 0.73
CTSD P07339 2/20 0.71

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
SCHEMBL3906032 0.97 BACE1 (0.82) BACE1BACE2CTSD
SCHEMBL3911290 0.92 BACE1 (0.74) BACE1BACE2CTSD
SCHEMBL3349580 0.91 BACE1 (0.72) BACE1BACE2CTSD
SCHEMBL3351110 0.90 BACE1 (0.82) BACE1BACE2CTSD
SCHEMBL3356179 0.88 BACE1 (0.76) BACE1BACE2CTSD
SCHEMBL5350011 0.87 BACE1 (0.77) BACE1BACE2CTSD
SCHEMBL3355133 0.87 BACE1 (0.67) BACE1BACE2CTSD
SCHEMBL3356460 0.86 BACE1 (0.69) BACE1BACE2CTSD
SCHEMBL4265382 0.84 BACE1 (1.00) BACE1BACE2CTSD
SCHEMBL13391906 0.84 BACE1 (1.00) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7214715-B2 Compounds to treat Alzheimer's disease PHARMACIA & UPJOHN (US) 2007-05-08 US claimed
JP-2004502669-A 2004-01-29 JP claimed
EP-1353898-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-10-22 EP claimed
US-20020128255-A1 Compounds to treat alzheimer's disease PHARMACIA & UPJOHN COMPANY 2002-09-12 US claimed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed
US-7498436-B2 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY LLC (US) 2009-03-03 US disclosed
US-7199244-B2 Cyclic amine derivatives and methods of use AMGEN (US) 2007-04-03 US disclosed
US-20050234044-A1 Cyclic amine derivatives and methods of use AMGEN INC. 2005-10-20 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-20020128255-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, APP BACE1 4/4885BACE2 9/4885CTSD 2080/4885
US-20050234044-A1 Cyclic amine derivatives and methods of use PTGIS, BDKRB2, LTC4S BACE1 1475/4885BACE2 2010/4885CTSD 1729/4885

“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.