SCHEMBL6042965

SCHEMBL6042965

CN(C)C(=O)[CH]C1CCCCCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADH1C P00326 1/20 0.37
ADH1A P07327 1/20 0.37
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
HPGD P15428 1/20 0.32
EPHX1 P07099 4/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLI1 P08151 1/20 0.31
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4709990 0.78 ADH1C (0.34) ADH1CADH1ACES2CES1HPGD
SCHEMBL28033618 0.73 CES2 (0.38) CES2CES1EPHX1ALDH1A1NPC1
SCHEMBL28034267 0.70
SCHEMBL6043694 0.70 NPC1 (0.40) CES2CES1EPHX1ALDH1A1NPC1
SCHEMBL754743 0.70 NPC1 (0.40) CES2CES1EPHX1ALDH1A1NPC1
SCHEMBL8393922 0.70 CES2 (0.35) ADH1CADH1ACES2CES1EPHX1
SCHEMBL22342037 0.70 GRIK1 (0.42) ADH1CADH1ACES2CES1HPGD
SCHEMBL6043876 0.69 EPHX1 (0.41) CES2CES1EPHX1ALDH1A1NPC1
SCHEMBL7523411 0.69 CES2 (0.38) CES2CES1EPHX1ALDH1A1NPC1
SCHEMBL176778 0.69 EPHX1 (0.41) CES2CES1EPHX1ALDH1A1NPC1

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 ADH1C 1208/4885ADH1A 1567/4885CES2 1190/4885

“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.