SCHEMBL5426403

SCHEMBL5426403

CCCCCCNc1c(NCC)c(CCC)c(C(=O)N(C)C)c(C)c1N1CCCC1=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ CTSD P07339 1/20 0.30
▸ BACE1 P56817 1/20 0.30
▸ BACE2 Q9Y5Z0 1/20 0.30

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
SCHEMBL5429111 0.80 LMNA (0.36) CYP1A2ALDH1A1HSD17B10MAPTKMT2A
SCHEMBL5429108 0.60 LRRK2 (0.43) CYP1A2ALDH1A1HSD17B10MAPTUSP2
SCHEMBL5217571 0.58 CTSD (0.51) CYP1A2ALDH1A1HSD17B10KMT2AMEN1
SCHEMBL7231634 0.57 HCAR3 (0.49) CYP1A2ALDH1A1HSD17B10USP2
SCHEMBL5871771 0.57 NAMPT (0.47) —
SCHEMBL5217461 0.57 ALDH1A1 (0.47) CYP1A2ALDH1A1HSD17B10KMT2AMEN1
SCHEMBL21842818 0.57 GPR84 (0.41) ALDH1A1MAPT
SCHEMBL5217257 0.57 ALDH1A1 (0.50) CYP1A2ALDH1A1HSD17B10KMT2AMEN1
SCHEMBL9683080 0.56 PIK3CD (0.42) ALDH1A1KMT2A
SCHEMBL9684772 0.56 PIK3CD (0.42) ALDH1A1KMT2A

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 CYP1A2 2757/4885ALDH1A1 3102/4885HSD17B10 1753/4885

“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.

Send feedback