SCHEMBL6044193

SCHEMBL6044193

CCCCN1CCNc2c(-c3ncco3)cc(C(=O)NC(Cc3cc(F)cc(F)c3)C(O)CCC3CCC(=O)N3)cc21

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.38
CTSD P07339 1/20 0.35
CTSE P14091 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35

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
SCHEMBL6044066 0.96 BACE1 (0.37) BACE1CTSDCTSEBACE2
SCHEMBL6043930 0.91 BACE1 (0.38) BACE1CTSDCTSEBACE2
SCHEMBL6044549 0.90 BACE1 (0.37) BACE1CTSDCTSEBACE2
SCHEMBL6044043 0.89 BACE1 (0.37) BACE1CTSDCTSEBACE2
SCHEMBL6043702 0.88 BACE1 (0.37) BACE1BACE2
SCHEMBL6044477 0.87 BACE1 (0.37) BACE1BACE2
SCHEMBL6043857 0.86 BACE1 (0.36) BACE1BACE2
SCHEMBL6044267 0.84 BACE1 (0.37) BACE1CTSDCTSEBACE2
SCHEMBL6044471 0.84 BACE1 (0.39) BACE1CTSDCTSEBACE2
SCHEMBL6043698 0.84 BACE1 (0.37) BACE1CTSDCTSEBACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060100196-A1 Substituted amines for the treatment of alzheimer's disease ELAN PHARMACEUTICALS, INC. 2006-05-11 US claimed
US-20060100196-A1 Substituted amines for the treatment of alzheimer's disease ELAN PHARMACEUTICALS, INC. 2006-05-11 US disclosed
US-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 US disclosed
WO-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed
US-6051712-A PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS HOFFMANN-LA ROCHE INC. (US) 2000-04-18 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-20060100196-A1 Substituted amines for the treatment of alzheimer's disease BACE1, APP, BACE2 BACE1 1/4885CTSD 292/4885CTSE 108/4885
US-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 BACE1 1/4885CTSD 92/4885CTSE 64/4885

“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.