SCHEMBL649904

SCHEMBL649904

COc1ccc2cccc([C@H]3CO[C@H](CCCNC(=O)Oc4ccccc4)OC3)c2c1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.53
MTNR1A P48039 11/20 0.45
FAAH O00519 2/20 0.44
MTNR1B P49286 6/20 0.43
NQO2 P16083 1/20 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
TRPV1 Q8NER1 1/20 0.41
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40

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
SCHEMBL649908 1.00 ACACB (0.53) ACACBMTNR1AFAAHMTNR1BNQO2
SCHEMBL649089 0.93 ACACB (0.62) ACACBMTNR1AFAAHMTNR1BNQO2
SCHEMBL649088 0.93 ACACB (0.62) ACACBMTNR1AFAAHMTNR1BNQO2
SCHEMBL4950551 0.90 ACACB (0.57) ACACBMTNR1AMTNR1BNQO2HTR2C
SCHEMBL4950545 0.90 ACACB (0.57) ACACBMTNR1AMTNR1BNQO2HTR2C
SCHEMBL649310 0.89 ACACB (0.55) ACACBFAAH
SCHEMBL649309 0.89 ACACB (0.55) ACACBFAAH
SCHEMBL649560 0.86 ACACB (0.52) ACACBMTNR1AMTNR1BNQO2HTR2C
SCHEMBL649561 0.86 ACACB (0.52) ACACBMTNR1AMTNR1BNQO2HTR2C
SCHEMBL649085 0.85 ACACB (0.51) ACACBMTNR1AMTNR1BNQO2TRPV1

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 16 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-8119327-B2 Hard, cold flowable, photosensitive photoresist coatings; consistant flexibility; strippability; shelf life; prepolymers comprised of such as methyl methacrylate, benzyl methacrylate and glycidyl methacrylate; photocuring with diacrylate monomer or oligimer HUNTSMAN ADVANCED MATERIALS AMERICAS LLC (US) 2012-02-21 US disclosed
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-1487888-B1 POLYMERISABLE COMPOSITION HUNTSMAN ADV MAT SWITZERLAND (CH) 2008-10-22 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
US-20050170094-A1 Polymerisable composition HUNTSMAN ADVANCED MATERIALS AMERICAS INC 2005-08-04 US disclosed
EP-1487888-A2 POLYMERISABLE COMPOSITION Huntsman Advanced Materials (Switzerland) GmbH (CH) 2004-12-22 EP disclosed
WO-2003082937-A9 POLYMERISABLE COMPOSITION HUNTSMAN ADV MAT SWITZERLAND (CH) 2004-09-16 WO disclosed
WO-2003082937-A2 POLYMERISABLE COMPOSITION HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2003-10-09 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 829/4885MTNR1A 466/4885FAAH 2244/4885
US-20060247290-A1 DERIVATIVES OF DIOXAN-2-ALKYL CARBAMATES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPEUTICS CHRM3, CHRM2, CHRM4 ACACB 829/4885MTNR1A 466/4885FAAH 2244/4885
US-20050182130-A1 Derivatives of dioxane-2-alkyl carbamates, preparation thereof and application thereof in therapeutics CHRM3, CHRM2, CHRM4 ACACB 681/4885MTNR1A 540/4885FAAH 2203/4885
US-20090286868-A1 DERIVATIVES OF DIOXAN-2-ALKYL CARBAMATES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPEUTICS CHRM3, CHRM2, CHRM4 ACACB 829/4885MTNR1A 466/4885FAAH 2244/4885

“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.