SCHEMBL6043694

SCHEMBL6043694

O=C(O)[CH]C1CCCCCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 1/20 0.40
GAA P10253 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
GRIK1 P39086 2/20 0.37
ALDH1A1 P00352 2/20 0.35
EPHX1 P07099 5/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.35
EPHX2 P34913 1/20 0.35
GRIK2 Q13002 1/20 0.34
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL754743 1.00 NPC1 (0.40) NPC1SMN1; SMN2HTTGAACES2
SCHEMBL11094656 0.97
SCHEMBL17062485 0.92
SCHEMBL382211 0.85
SCHEMBL7523411 0.76 CES2 (0.38) NPC1SMN1; SMN2HTTGAACES2
SCHEMBL176778 0.76 EPHX1 (0.41) NPC1SMN1; SMN2CES2CES1GRIK1
SCHEMBL6043876 0.76 EPHX1 (0.41) NPC1SMN1; SMN2CES2CES1GRIK1
SCHEMBL28033618 0.76 CES2 (0.38) NPC1SMN1; SMN2CES2CES1GRIK1
SCHEMBL3602770 0.74
SCHEMBL23749603 0.74 HTT (0.47) NPC1SMN1; SMN2HTTGAACES2

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 NPC1 2706/4885SMN1; SMN2 1043/4885HTT 161/4885

“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.