SCHEMBL649324

SCHEMBL649324

O=C(NCC[C@H]1OC[C@H](c2cccc3ccccc32)CO1)OCC(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.44
FAAH O00519 2/20 0.34
DRD3 P35462 2/20 0.34
EPHX1 P07099 1/20 0.34
BCHE P06276 1/20 0.34
DRD2 P14416 3/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 3/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
MASP2 O00187 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
MTNR1A P48039 4/20 0.32
MTNR1B P49286 4/20 0.32
ATM Q13315 1/20 0.32
SLC6A4 P31645 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL649323 1.00 ACACB (0.44) ACACBFAAHDRD3EPHX1BCHE
SCHEMBL647560 0.94 ACACB (0.51) ACACBFAAHDRD3EPHX1BCHE
SCHEMBL647561 0.94 ACACB (0.51) ACACBFAAHDRD3EPHX1BCHE
SCHEMBL649128 0.87 ACACB (0.53) ACACBMTNR1AMTNR1B
SCHEMBL649127 0.87 ACACB (0.53) ACACBMTNR1AMTNR1B
SCHEMBL650623 0.83 ACACB (0.45) ACACBBCHEDRD2KDM4EMTNR1A
SCHEMBL650624 0.83 ACACB (0.45) ACACBBCHEDRD2KDM4EMTNR1A
SCHEMBL649040 0.82 ACACB (0.48) ACACBFAAHBCHEHTTALDH1A1
SCHEMBL649041 0.82 ACACB (0.48) ACACBFAAHBCHEHTTALDH1A1
SCHEMBL650393 0.82 ACACB (0.60) ACACBDRD3DRD2MTNR1AMTNR1B

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 2244/4885DRD3 1570/4885
US-20060247290-A1 DERIVATIVES OF DIOXAN-2-ALKYL CARBAMATES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPEUTICS CHRM3, CHRM2, CHRM4 ACACB 829/4885FAAH 2244/4885DRD3 1570/4885
US-20050182130-A1 Derivatives of dioxane-2-alkyl carbamates, preparation thereof and application thereof in therapeutics CHRM3, CHRM2, CHRM4 ACACB 681/4885FAAH 2203/4885DRD3 1588/4885
US-20090286868-A1 DERIVATIVES OF DIOXAN-2-ALKYL CARBAMATES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPEUTICS CHRM3, CHRM2, CHRM4 ACACB 829/4885FAAH 2244/4885DRD3 1570/4885

“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.