SCHEMBL649088

SCHEMBL649088

COc1ccc2c(C3COC(CCCNC(=O)Oc4ccccc4)OC3)cccc2c1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.62
FAAH O00519 2/20 0.42
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
NQO2 P16083 1/20 0.40
BRD4 O60885 1/20 0.40
TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL649089 1.00 ACACB (0.62) ACACBFAAHNPC1GAARAB9A
SCHEMBL649904 0.93 ACACB (0.53) ACACBFAAHNPC1GAARAB9A
SCHEMBL649908 0.93 ACACB (0.53) ACACBFAAHNPC1GAARAB9A
SCHEMBL4382041 0.90 ACACB (0.67) ACACBMTNR1AMTNR1BNQO2
SCHEMBL4382039 0.90 ACACB (0.67) ACACBMTNR1AMTNR1BNQO2
SCHEMBL4950105 0.90 ACACB (0.67) ACACBMTNR1AMTNR1BNQO2
SCHEMBL649310 0.89 ACACB (0.55) ACACBFAAH
SCHEMBL649309 0.89 ACACB (0.55) ACACBFAAH
SCHEMBL648434 0.89 ACACB (0.61) ACACBMTNR1AMTNR1BNQO2
SCHEMBL648433 0.89 ACACB (0.61) ACACBMTNR1AMTNR1BNQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537096-B1 DERIVATIVES OF DIOXANE-2-ALKYL CARBAMATES, PREPARATION METHOD THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2008-09-24 EP claimed
US-7119116-B2 Derivatives of dioxane-2-alkyl carbamates, preparation thereof and application thereof in therapeutics SANOFI-AVENTIS (FR) 2006-10-10 US claimed
US-20050182130-A1 Derivatives of dioxane-2-alkyl carbamates, preparation thereof and application thereof in therapeutics SANOFI AVENTIS (FR) 2005-08-18 US claimed
US-8119687-B2 Derivatives of dioxan-2-alkyl carbamates, preparation thereof and application thereof in therapeutics SANOFI-AVENTIS (FR) 2012-02-21 US disclosed
US-20100280076-A1 DERIVATIVES OF DIOXAN-2-ALKYL CARBAMATES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPEUTICS SANOFI-AVENTIS (FR) 2010-11-04 US disclosed
US-7777057-B2 2-Amino-2-oxoethyl trans-3-[5-(naphth-1-yl)-1,3-dioxan-2-yl]propyl carbamate; reacting the phenylcarbonate with 2-aminodioxane; fatty acid amido hydrolase (FAAH) inhibitors; analgesics; nervous system disorders; gastrointestinal disorders,; to name just a few SANOFI-AVENTIS (FR) 2010-08-17 US disclosed
US-20090286868-A1 DERIVATIVES OF DIOXAN-2-ALKYL CARBAMATES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPEUTICS SANOFI-AVENTIS (FR) 2009-11-19 US disclosed
US-20060247290-A1 DERIVATIVES OF DIOXAN-2-ALKYL CARBAMATES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPEUTICS SANOFI-AVENTIS (FR) 2006-11-02 US disclosed
US-7119116-B2 Derivatives of dioxane-2-alkyl carbamates, preparation thereof and application thereof in therapeutics SANOFI-AVENTIS (FR) 2006-10-10 US disclosed
US-20050182130-A1 Derivatives of dioxane-2-alkyl carbamates, preparation thereof and application thereof in therapeutics SANOFI AVENTIS (FR) 2005-08-18 US 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 (4 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-20100280076-A1 DERIVATIVES OF DIOXAN-2-ALKYL CARBAMATES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPEUTICS CHRM3, CHRM2, CHRM4 ACACB 829/4885FAAH 2244/4885NPC1 261/4885
US-20060247290-A1 DERIVATIVES OF DIOXAN-2-ALKYL CARBAMATES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPEUTICS CHRM3, CHRM2, CHRM4 ACACB 829/4885FAAH 2244/4885NPC1 261/4885
US-20050182130-A1 Derivatives of dioxane-2-alkyl carbamates, preparation thereof and application thereof in therapeutics CHRM3, CHRM2, CHRM4 ACACB 681/4885FAAH 2203/4885NPC1 263/4885
US-20090286868-A1 DERIVATIVES OF DIOXAN-2-ALKYL CARBAMATES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPEUTICS CHRM3, CHRM2, CHRM4 ACACB 829/4885FAAH 2244/4885NPC1 261/4885

“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.