SCHEMBL5396304

SCHEMBL5396304

CCCCn1ccc2c(N3CCCC3=O)cccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD2 P14416 1/20 0.37
CHRM3 P20309 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
CNR2 P34972 2/20 0.36
HRH4 Q9H3N8 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
P2RX7 Q99572 1/20 0.35
CTSD P07339 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
SCHEMBL5395792 0.96 ALDH1A1 (0.38) ALDH1A1HSD17B10CNR2P2RX7GRM2
SCHEMBL5389542 0.87 BACE1 (0.42) ALDH1A1HSD17B10CYP1A2CYP2D6CYP3A4
SCHEMBL5223578 0.81 BACE1 (0.45) ALDH1A1HSD17B10CYP1A2CYP2D6CYP3A4
SCHEMBL5387536 0.80 CHRM2 (0.43) ALDH1A1HSD17B10CHRM2CHRM4CHRM1
SCHEMBL5216936 0.78 BACE1 (0.44) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2C9
SCHEMBL5219794 0.78 BACE1 (0.44) ALDH1A1HSD17B10CNR2CYP1A2CYP2D6
SCHEMBL5389115 0.75 BACE1 (0.43) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2C9
SCHEMBL85903 0.71 ALOX5 (0.55) HSD17B10MEN1KMT2ATP53
SCHEMBL5379366 0.70 SCN9A (0.43) CTSDBACE1BACE2
SCHEMBL7594648 0.70 NR1H2 (0.54) ALDH1A1HSD17B10CHRM2CHRM4CHRM5

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 ALDH1A1 3102/4885HSD17B10 1753/4885CHRM2 55/4885

“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.