SCHEMBL6043763

SCHEMBL6043763

CC1CN(C(=O)C(C)[O])CCO1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA1 P23415 1/20 0.51
PDK1 Q15118 3/20 0.50
VNN1 O95497 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PKM P14618 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3R2 O00459 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
PIK3R5 Q8WYR1 1/20 0.32
PIK3R3 Q92569 1/20 0.32
KDM4E B2RXH2 2/20 0.32
TSHR P16473 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
SCHEMBL19699484 0.87 GLRA1 (0.52) GLRA1PDK1VNN1SMN1; SMN2ALDH1A1
SCHEMBL19699503 0.87 GLRA1 (0.52) GLRA1PDK1VNN1SMN1; SMN2ALDH1A1
SCHEMBL12233362 0.87 GLRA1 (0.52) GLRA1PDK1VNN1SMN1; SMN2ALDH1A1
SCHEMBL15788121 0.82 PDK1 (0.50) GLRA1PDK1VNN1SMN1; SMN2ALDH1A1
SCHEMBL22681134 0.81 PDK1 (0.50) GLRA1PDK1NPC1PKMPIK3CD
SCHEMBL3991342 0.77 PDK1 (0.56) GLRA1PDK1VNN1SMN1; SMN2ALDH1A1
SCHEMBL2933380 0.77 PDK1 (0.56) GLRA1PDK1VNN1SMN1; SMN2ALDH1A1
SCHEMBL18125963 0.77 PDK1 (0.56) GLRA1PDK1VNN1SMN1; SMN2ALDH1A1
SCHEMBL17776430 0.77 PDK1 (0.56) GLRA1PDK1VNN1SMN1; SMN2ALDH1A1
SCHEMBL15788160 0.77 PDK1 (0.56) GLRA1PDK1VNN1SMN1; SMN2ALDH1A1

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 GLRA1 236/4885PDK1 1907/4885VNN1 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.