SCHEMBL6042585

SCHEMBL6042585

COC1CCN(C(=O)C[O])CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
NPC1 O15118 2/20 0.41
KMT2A Q03164 2/20 0.38
RAB9A P51151 1/20 0.38
GRIN2B Q13224 1/20 0.37
HPGD P15428 1/20 0.35
NAMPT P43490 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
POLB P06746 1/20 0.34
EPHX2 P34913 1/20 0.34

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
SCHEMBL6043865 0.89 GRIN2B (0.39) ALDH1A1KDM4ELMNAMAPTNPC1
SCHEMBL10305114 0.84 EPHX2 (0.49) ALDH1A1KDM4ELMNAMAPTNPC1
SCHEMBL5986894 0.84 ALDH1A1 (0.47) ALDH1A1KDM4ELMNAMAPTNPC1
SCHEMBL13851058 0.82 KMT2A (0.51) ALDH1A1KDM4ELMNAMAPTNPC1
SCHEMBL12789861 0.82 ALDH1A1 (0.63) ALDH1A1KDM4ELMNAMAPTNPC1
SCHEMBL12801147 0.82 CPN1 (0.46) ALDH1A1KDM4ELMNAMAPTNPC1
SCHEMBL23136096 0.81 NPC1 (0.47) ALDH1A1KDM4ELMNAMAPTNPC1
SCHEMBL2416803 0.81 ALDH1A1 (0.42) ALDH1A1KDM4ELMNAMAPTNPC1
SCHEMBL16838920 0.81 NAMPT (0.56) ALDH1A1KDM4ELMNAMAPTNPC1
SCHEMBL26748741 0.81 NPC1 (0.56) NPC1KMT2ARAB9A

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 ALDH1A1 1039/4885KDM4E 1951/4885LMNA 1636/4885

“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.