SCHEMBL2852162

SCHEMBL2852162

O=C(O)OCc1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CHRM2 P08172 3/20 0.36
CHRM4 P08173 3/20 0.36
CHRM5 P08912 3/20 0.36
CHRM1 P11229 3/20 0.36
CHRM3 P20309 3/20 0.36
FDPS P14324 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
BLM P54132 1/20 0.33
CYP2D6 P10635 1/20 0.33
ESR1 P03372 1/20 0.32
CYP1A2 P05177 1/20 0.32
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL22832794 0.81 KMT2A (0.40) KMT2AMEN1CHRM2CHRM4CHRM1
SCHEMBL584666 0.81 KMT2A (0.43) KMT2AMEN1CHRM2CYP11B1CYP11B2
SCHEMBL6446028 0.81 KMT2A (0.43) KMT2AMEN1FDPSCYP11B1CYP11B2
SCHEMBL18212253 0.80 NR4A2 (0.50) KMT2AMEN1NPC1LMNARAB9A
SCHEMBL8170659 0.79 TBXAS1 (0.41) KMT2AMEN1LMNASMN1; SMN2POLB
SCHEMBL647893 0.79 KMT2A (0.46) KMT2AMEN1CHRM2CHRM4CHRM1
SCHEMBL5319750 0.78 MEN1 (0.41) KMT2AMEN1FDPSBLMCYP2D6
SCHEMBL12350238 0.77 P4HTM (0.35) KMT2AMEN1FDPSLMNA
SCHEMBL5325316 0.77 SMN1; SMN2 (0.43) KMT2AMEN1LMNARAB9ASMN1; SMN2
SCHEMBL1528022 0.76 KMT2A (0.44) KMT2AMEN1CHRM2CHRM4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1840125-B1 Intermediates for the preparation of dioxane-2-alkyl carbamates SANOFI AVENTIS (FR) 2009-06-24 EP disclosed
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 disclosed
EP-1840125-A2 Derivatives of dioxane-2-alkyl carbamates, preparation thereof and application thereof in therapeutics sanofi-aventis (FR) 2007-10-03 EP 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
EP-1537096-A2 DERIVATIVES OF DIOXANE-2-ALKYL CARBAMATES, PREPARATION METHOD THEREOF AND APPLICATION OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2005-06-08 EP disclosed
WO-2004020430-A2 DERIVATIVES OF DIOXANE-2-ALKYL CARBAMATES, PREPARATION METHOD THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2004-03-11 WO 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 KMT2A 3293/4885MEN1 1600/4885CHRM2 2/4885
US-20060247290-A1 DERIVATIVES OF DIOXAN-2-ALKYL CARBAMATES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPEUTICS CHRM3, CHRM2, CHRM4 KMT2A 3293/4885MEN1 1600/4885CHRM2 2/4885
US-20050182130-A1 Derivatives of dioxane-2-alkyl carbamates, preparation thereof and application thereof in therapeutics CHRM3, CHRM2, CHRM4 KMT2A 3209/4885MEN1 1380/4885CHRM2 2/4885
US-20090286868-A1 DERIVATIVES OF DIOXAN-2-ALKYL CARBAMATES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPEUTICS CHRM3, CHRM2, CHRM4 KMT2A 3293/4885MEN1 1600/4885CHRM2 2/4885

“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.