SCHEMBL647848

SCHEMBL647848

COc1ccc2c(cccc2[C@H]2CO[C@H](CCCNC(=O)OCC(=O)NC3CC3)OC2)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.59
SMYD3 Q9H7B4 1/20 0.40
POLB P06746 3/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NQO2 P16083 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 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
SCHEMBL647847 1.00 ACACB (0.59) ACACBSMYD3POLBHPGDSMN1; SMN2
SCHEMBL649910 0.91 ACACB (0.60) ACACBKDM4EALDH1A1NQO2MTNR1A
SCHEMBL649444 0.91 ACACB (0.60) ACACBKDM4EALDH1A1NQO2MTNR1A
SCHEMBL650375 0.90 ACACB (0.59) ACACBHPGDKDM4EALDH1A1RAB9A
SCHEMBL650374 0.90 ACACB (0.59) ACACBHPGDKDM4EALDH1A1RAB9A
SCHEMBL648433 0.89 ACACB (0.61) ACACBNQO2MTNR1AMTNR1BDRD2
SCHEMBL648434 0.89 ACACB (0.61) ACACBNQO2MTNR1AMTNR1BDRD2
SCHEMBL649521 0.88 ACACB (0.61) ACACBNQO2MTNR1AMTNR1BDRD2
SCHEMBL649221 0.88 ACACB (0.61) ACACBNQO2MTNR1AMTNR1BDRD2
SCHEMBL649220 0.88 ACACB (0.61) ACACBNQO2MTNR1AMTNR1BDRD2

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 7 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
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 829/4885SMYD3 1543/4885POLB 3261/4885
US-20060247290-A1 DERIVATIVES OF DIOXAN-2-ALKYL CARBAMATES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPEUTICS CHRM3, CHRM2, CHRM4 ACACB 829/4885SMYD3 1543/4885POLB 3261/4885
US-20050182130-A1 Derivatives of dioxane-2-alkyl carbamates, preparation thereof and application thereof in therapeutics CHRM3, CHRM2, CHRM4 ACACB 681/4885SMYD3 1860/4885POLB 3156/4885
US-20090286868-A1 DERIVATIVES OF DIOXAN-2-ALKYL CARBAMATES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPEUTICS CHRM3, CHRM2, CHRM4 ACACB 829/4885SMYD3 1543/4885POLB 3261/4885

“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.