SCHEMBL6043841

SCHEMBL6043841

C[CH]C(=O)N1CCOC(C)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 4/20 0.51
▸ GLRA1 P23415 1/20 0.46
▸ VNN1 O95497 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ KRAS P01116 2/20 0.33
▸ PIK3CA P42336 2/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3R2 O00459 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ PIK3R5 Q8WYR1 1/20 0.33
▸ PIK3R3 Q92569 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MTOR P42345 1/20 0.32
▸ PRKDC P78527 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32

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
SCHEMBL28338015 0.86 PDK1 (0.49) PDK1GLRA1VNN1ALDH1A1NPC1
SCHEMBL31395068 0.84 PDK1 (0.50) PDK1GLRA1VNN1ALDH1A1NPC1
SCHEMBL31395014 0.84 PDK1 (0.50) PDK1GLRA1VNN1ALDH1A1NPC1
SCHEMBL21641656 0.84 PDK1 (0.50) PDK1GLRA1VNN1ALDH1A1NPC1
SCHEMBL15788160 0.79 PDK1 (0.56) PDK1GLRA1VNN1ALDH1A1NPC1
SCHEMBL18125963 0.79 PDK1 (0.56) PDK1GLRA1VNN1ALDH1A1NPC1
SCHEMBL17776430 0.79 PDK1 (0.56) PDK1GLRA1VNN1ALDH1A1NPC1
SCHEMBL2933380 0.79 PDK1 (0.56) PDK1GLRA1VNN1ALDH1A1NPC1
SCHEMBL3991342 0.79 PDK1 (0.56) PDK1GLRA1VNN1ALDH1A1NPC1
SCHEMBL18125968 0.79 PDK1 (0.56) PDK1GLRA1VNN1ALDH1A1NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides ELAN PHARMACEUTICALS, INC. 2006-04-27 — — US disclosed
WO-2003103652-A1 METHODS OF TREATING ALZHEIMER’S DISEASE USING AROMATICALLY SUBSTITUTED ω-AMINO-ALKANOIC ACID AMIDES AND ALKANOIC ACID DIAMIDES ELAN PHARMACEUTICALS, INC. (US) 2003-12-18 — — WO disclosed
US-5641778-A EXHIBIT RENIN-INHIBITING PROPERTIES AND CAN BE USED AS ANTIHYPERTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-06-24 — — US disclosed
EP-0716077-A1 Aromatically substituted omega amino alcanoic acid amides and alcanoic diamides and their use as renine inhibitors CIBA-GEIGY AG (CH) 1996-06-12 — — EP 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-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides APP, BACE1, BACE2 PDK1 1907/4885GLRA1 236/4885VNN1 2061/4885

“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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