SCHEMBL5383441

SCHEMBL5383441

CCn1cnc2c(N3CCCC3=O)cccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.43
BACE1 P56817 1/20 0.43
BACE2 Q9Y5Z0 1/20 0.43
HTR6 P50406 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FFAR1 O14842 2/20 0.35
FFAR4 Q5NUL3 1/20 0.35
GFER P55789 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
ADORA2A P29274 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
SCHEMBL5220770 0.78 BACE1 (0.52) CTSDBACE1BACE2ALDH1A1CYP1A2
SCHEMBL5389542 0.76 BACE1 (0.42) CTSDBACE1BACE2ALDH1A1CYP1A2
SCHEMBL5218022 0.76 BACE1 (0.50) CTSDBACE1BACE2ALDH1A1CYP3A4
SCHEMBL5379366 0.72 SCN9A (0.43) CTSDBACE1BACE2HTR6SCN9A
SCHEMBL11251593 0.70 HTR6 (0.54) HTR6ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL30157423 0.70 HTR6 (0.54) HTR6ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL22071881 0.70 ADA (0.46) CYP1A2ADORA2AADORA1SMN1; SMN2
SCHEMBL85903 0.70 ALOX5 (0.55) MEN1KMT2AHSD17B10GFERMAPT
Hydrochloric Acid SCHEMBL11257797 0.69 HTR6 (0.53) HTR6ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL10129568 0.68 CYP17A1 (0.45) ALDH1A1CYP1A2MEN1KMT2AMAPT

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-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 US disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 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-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 CTSD 384/4885BACE1 3/4885BACE2 1/4885

“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.