SCHEMBL5388944

SCHEMBL5388944

CCc1cn(C)c2c(N3CCCC3=O)cccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
BRDT Q58F21 1/20 0.44
CTSD P07339 1/20 0.42
BACE1 P56817 1/20 0.42
BACE2 Q9Y5Z0 1/20 0.42
ALOX5 P09917 1/20 0.41
PDE10A Q9Y233 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TP53 P04637 2/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTGS2 P35354 1/20 0.35
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
SCHEMBL10225207 0.79 HTR2A (0.44) BRD4BRDTALOX5HSD17B10ALDH1A1
SCHEMBL31022916 0.79 BRD4 (0.41) BRD4BRDTPDE10AHSD17B10APOBEC3A
SCHEMBL5223584 0.78 CTSD (0.51) BRD4BRDTCTSDBACE1BACE2
SCHEMBL85903 0.77 ALOX5 (0.55) ALOX5HSD17B10TP53APOBEC3AAPOBEC3G
SCHEMBL5220175 0.74 CTSD (0.48) CTSDBACE1BACE2ALOX5HSD17B10
SCHEMBL5390345 0.74 CTSD (0.42) BRD4BRDTCTSDBACE1BACE2
SCHEMBL5394165 0.74 CTSD (0.42) BRD4BRDTCTSDBACE1BACE2
SCHEMBL27249582 0.71 BRD4 (0.48) BRD4BRDTHSD17B10TP53ALDH1A1
SCHEMBL31058356 0.71 ALOX5 (0.46) ALOX5HSD17B10TP53APOBEC3AAPOBEC3G
SCHEMBL5390529 0.70 TSHR (0.43) CTSDBACE1BACE2ALOX5APOBEC3A

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 BRD4 729/4885BRDT 2722/4885CTSD 384/4885

“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.