SCHEMBL6044654

SCHEMBL6044654

CCCN(CCC)c1cc(C(=O)NCCc2cc(F)cc(F)c2)cc(-c2ncco2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.39
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
ESRRG P62508 2/20 0.37
KDM5B Q9UGL1 2/20 0.35
KDM5A P29375 2/20 0.35
KDM4E B2RXH2 1/20 0.35
KDM5C P41229 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PIK3CD O00329 3/20 0.34
PIK3CA P42336 3/20 0.34
PIK3CB P42338 3/20 0.34
PIK3CG P48736 3/20 0.34
MTOR P42345 1/20 0.34
LTA4H P09960 2/20 0.33
CDC7 O00311 1/20 0.33
CDK19 Q9BWU1 1/20 0.33

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
SCHEMBL6043432 0.84 BACE1 (0.54) BACE1
SCHEMBL6606928 0.77 BACE1 (0.36) BACE1
SCHEMBL6608300 0.77 HCAR3 (0.36) KDM5BKDM5AKDM5CCNR1
SCHEMBL6044292 0.76 BACE1 (0.45) BACE1
SCHEMBL6043722 0.76 BACE1 (0.43) BACE1
SCHEMBL6043902 0.76 BACE1 (0.43) BACE1
SCHEMBL6044082 0.76 BACE1 (0.43) BACE1
SCHEMBL6044454 0.74 BACE1 (0.42) BACE1
SCHEMBL3352804 0.74 BACE1 (0.61) BACE1
SCHEMBL6044403 0.71 LMNA (0.37) BACE1LMNAHTTKDM4ENPC1

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 2 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

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 1/4885LMNA 736/4885HTT 260/4885

“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.