SCHEMBL5443590

SCHEMBL5443590

CCCc1c(OCC)c(NCc2ccccc2)c(N2CCCC2=O)c(OC)c1C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 6/20 0.35
▸ BACE1 P56817 6/20 0.35
▸ LMNA P02545 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ BACE2 Q9Y5Z0 5/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ L3MBTL1 Q9Y468 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
SCHEMBL5431785 0.90 CTSD (0.36) CTSDBACE1USP2ALDH1A1BACE2
SCHEMBL5429008 0.88 BACE1 (0.36) CTSDBACE1LMNAUSP2POLB
SCHEMBL5434730 0.73 USP2 (0.34) CTSDBACE1USP2ALDH1A1BACE2
SCHEMBL5443586 0.69 LMNA (0.36) LMNAPOLBALDH1A1NPC1RAB9A
SCHEMBL5429111 0.66 LMNA (0.36) LMNAUSP2ALDH1A1TSHRMAPT
SCHEMBL5429003 0.66 CYP1A2 (0.35) CTSDBACE1LMNAPOLBALDH1A1
SCHEMBL5434946 0.64 NPC1 (0.43) CTSDBACE1USP2ALDH1A1BACE2
SCHEMBL5184629 0.61 HSD17B10 (0.38) USP2POLBALDH1A1MAPTSMN1; SMN2
SCHEMBL5224792 0.61 CTSD (0.56) CTSDBACE1ALDH1A1BACE2NPC1
SCHEMBL9208078 0.60 GAA (0.52) LMNAPOLBALDH1A1RAB9AMAPT

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 3/4885LMNA 1062/4885

“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.

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