SCHEMBL649532

SCHEMBL649532

COc1ccc2c(cccc2[C@H]2CO[C@H](CCCN)OC2)c1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.54
HTR2A P28223 2/20 0.41
HRH1 P35367 1/20 0.41
DPP4 P27487 2/20 0.39
MTNR1A P48039 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL649531 1.00 ACACB (0.54) ACACBHTR2AHRH1DPP4MTNR1A
Hydrochloric Acid SCHEMBL8415498 0.99 ACACB (0.53) ACACBHTR2AHRH1DPP4MTNR1A
SCHEMBL8103455 0.89 ACACB (0.52) ACACBHTR2AHRH1MTNR1A
SCHEMBL8117132 0.89 ACACB (0.54) ACACBHTR2AHRH1MTNR1ASIGMAR1
SCHEMBL8415592 0.86 ACACB (0.51) ACACBHTR2AHRH1DPP4MTNR1A
SCHEMBL7780947 0.85 ACACB (0.58) ACACBHTR2AHRH1MTNR1ASIGMAR1
SCHEMBL647953 0.85 ACACB (0.51) ACACBMTNR1A
SCHEMBL2965199 0.85 ACACB (0.51) ACACBMTNR1A
SCHEMBL8109218 0.85 ACACB (0.70) ACACBMTNR1A
Hydrochloric Acid SCHEMBL8418541 0.84 ACACB (0.57) ACACBMTNR1ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 ACACB 829/4885HTR2A 2971/4885HRH1 946/4885
US-20060247290-A1 DERIVATIVES OF DIOXAN-2-ALKYL CARBAMATES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPEUTICS CHRM3, CHRM2, CHRM4 ACACB 829/4885HTR2A 2971/4885HRH1 946/4885
US-20050182130-A1 Derivatives of dioxane-2-alkyl carbamates, preparation thereof and application thereof in therapeutics CHRM3, CHRM2, CHRM4 ACACB 681/4885HTR2A 2739/4885HRH1 660/4885
US-20090286868-A1 DERIVATIVES OF DIOXAN-2-ALKYL CARBAMATES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPEUTICS CHRM3, CHRM2, CHRM4 ACACB 829/4885HTR2A 2971/4885HRH1 946/4885

“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.