SCHEMBL5431785

SCHEMBL5431785

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 10/20 0.36
▸ BACE1 P56817 10/20 0.36
▸ BACE2 Q9Y5Z0 9/20 0.35
▸ USP2 O75604 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ SLC1A2 P43004 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ METTL3 Q86U44 1/20 0.33
▸ METTL14 Q9HCE5 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
SCHEMBL5443590 0.90 CTSD (0.35) CTSDBACE1BACE2USP2TSHR
SCHEMBL5429008 0.80 BACE1 (0.36) CTSDBACE1BACE2USP2TSHR
SCHEMBL5434730 0.74 USP2 (0.34) CTSDBACE1BACE2USP2TSHR
SCHEMBL5431782 0.70 CYP1A2 (0.35) TSHRALDH1A1HSD17B10CYP2D6CYP2C9
SCHEMBL5429111 0.65 LMNA (0.36) USP2TSHRALDH1A1HSD17B10MEN1
SCHEMBL5434946 0.63 NPC1 (0.43) CTSDBACE1BACE2USP2TSHR
SCHEMBL5434944 0.62 CYP1A2 (0.42) CTSDBACE1BACE2CYP2D6CYP2C9
SCHEMBL5443586 0.61 LMNA (0.36) TSHRALDH1A1HSD17B10CYP2D6CYP2C9
SCHEMBL5184629 0.60 HSD17B10 (0.38) USP2ALDH1A1HSD17B10CYP2C9TP53
SCHEMBL5224792 0.60 CTSD (0.56) CTSDBACE1BACE2TSHRALDH1A1

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.

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