SCHEMBL6044200

SCHEMBL6044200

CCCN(CCC)C(=O)c1cc(C(N)=O)cc(C(N)=O)c1C(Cc1cc(F)cc(F)c1)C(O)CCc1nc2ccccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 8/20 0.40
CTSD P07339 4/20 0.40
HSD17B10 Q99714 1/20 0.37
HTT P42858 3/20 0.36
POLB P06746 1/20 0.36
BACE2 Q9Y5Z0 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
CTSE P14091 2/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
ALPG P10696 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 3/20 0.34
PIN1 Q13526 1/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL6043685 0.86 BACE1 (0.41) BACE1CTSDBACE2CTSE
SCHEMBL6044246 0.83 BACE1 (0.44) BACE1CTSDBACE2CTSE
SCHEMBL6043487 0.82 BACE1 (0.59) BACE1CTSDBACE2CTSE
SCHEMBL6044589 0.82 BACE1 (0.39) BACE1CTSDBACE2
SCHEMBL6044159 0.81 BACE1 (0.40) BACE1CTSDBACE2
SCHEMBL6044117 0.79 BACE1 (0.39) BACE1CTSDBACE2
SCHEMBL6043980 0.76 BACE1 (0.62) BACE1CTSDBACE2CTSE
SCHEMBL6043649 0.74 BACE1 (0.38) BACE1CTSDBACE2
SCHEMBL3351729 0.73 BACE1 (0.59) BACE1CTSDBACE2
SCHEMBL6044673 0.73 BACE1 (0.37) BACE1CTSDBACE2

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 1 patent. 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 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 (1 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 292/4885HSD17B10 1593/4885

“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.