SCHEMBL2452508

SCHEMBL2452508

O=C(O)C12CCCC(c3ccccc3)(CC1)CC2

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.52
AKR1C1 Q04828 1/20 0.48
DGAT1 O75907 3/20 0.44
SOAT1 P35610 3/20 0.44
HDAC4 P56524 2/20 0.40
HSD11B1 P28845 3/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL2452042 0.92 PNMT (0.59) PNMTAKR1C1DGAT1SOAT1HDAC4
SCHEMBL22027047 0.86 DGAT1 (0.45) PNMTAKR1C1DGAT1SOAT1
SCHEMBL20743587 0.81 PNMT (0.50) PNMTAKR1C1DGAT1SOAT1HDAC4
SCHEMBL12302201 0.77 PNMT (0.55) PNMTAKR1C1DGAT1SOAT1HDAC4
SCHEMBL2453099 0.77 PNMT (0.55) PNMTAKR1C1DGAT1SOAT1HDAC4
SCHEMBL206513 0.76 DGAT1 (0.46) PNMTAKR1C1DGAT1SOAT1LMNA
SCHEMBL17893428 0.74 FFAR3 (0.38) AKR1C1
SCHEMBL17467926 0.74 AKR1C1 (0.47) PNMTAKR1C1HDAC4HSD11B1LMNA
SCHEMBL23380675 0.74 PNMT (0.39) PNMTAKR1C1DGAT1SOAT1HDAC4
SCHEMBL207081 0.74 ALDH1A1 (0.41) PNMTAKR1C1DGAT1SOAT1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017603-B2 Pyrimido [4,5-B]-oxazines for use as DGAT inhibitors ASTRAZENECA AB (SE) 2011-09-13 US disclosed
US-8017603-B2 Pyrimido [4,5-B]-oxazines for use as DGAT inhibitors ASTRAZENECA AB (SE) 2011-09-13 US disclosed
US-8017603-B2 Pyrimido [4,5-B]-oxazines for use as DGAT inhibitors ASTRAZENECA AB (SE) 2011-09-13 US disclosed
US-20100311737-A1 PYRIMIDO [4,5-B] -OXAZINES FOR USE AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-09 US disclosed
US-20100311737-A1 PYRIMIDO [4,5-B] -OXAZINES FOR USE AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-09 US disclosed
US-20100311737-A1 PYRIMIDO [4,5-B] -OXAZINES FOR USE AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-09 US disclosed
US-7749997-B2 Pyrimido [4,5-B] -Oxazines for use as DGAT inhibitors ASTRAZENECA AB (CH) 2010-07-06 US disclosed
US-7749997-B2 Pyrimido [4,5-B] -Oxazines for use as DGAT inhibitors ASTRAZENECA AB (CH) 2010-07-06 US disclosed
US-7749997-B2 Pyrimido [4,5-B] -Oxazines for use as DGAT inhibitors ASTRAZENECA AB (CH) 2010-07-06 US disclosed
US-20080306059-A1 Acyl CoA:diacylglycerol acyltransferase (DGAT) inhibitors such as 4-[4-(4-Amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]bicyclo[2.2.2]oct-1-yl}acetic acid, useful for the treatment of non-insulin dependent diabetes, insulin resistance, impaired glucose tolerance and obesity in humans ASTRAZENECA AB (SE) 2008-12-11 US disclosed
US-20080306059-A1 Acyl CoA:diacylglycerol acyltransferase (DGAT) inhibitors such as 4-[4-(4-Amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]bicyclo[2.2.2]oct-1-yl}acetic acid, useful for the treatment of non-insulin dependent diabetes, insulin resistance, impaired glucose tolerance and obesity in humans ASTRAZENECA AB (SE) 2008-12-11 US disclosed
US-20080306059-A1 Acyl CoA:diacylglycerol acyltransferase (DGAT) inhibitors such as 4-[4-(4-Amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]bicyclo[2.2.2]oct-1-yl}acetic acid, useful for the treatment of non-insulin dependent diabetes, insulin resistance, impaired glucose tolerance and obesity in humans ASTRAZENECA AB (SE) 2008-12-11 US disclosed
EP-1966221-A1 PYRIMIDO- [4, 5-]-OXAZINES FOR USE AS DGAT INHIBITORS AstraZeneca AB (SE) 2008-09-10 EP disclosed
WO-2007071966-A1 PYRIMIDO- [4, 5-B] -OXAZINES FOR USE AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2007-06-28 WO disclosed
WO-2007071966-A1 PYRIMIDO- [4, 5-B] -OXAZINES FOR USE AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2007-06-28 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 (2 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-20100311737-A1 PYRIMIDO [4,5-B] -OXAZINES FOR USE AS DGAT INHIBITORS DGAT1, DGAT2, GPR119 PNMT 593/4885AKR1C1 700/4885DGAT1 1/4885
US-20080306059-A1 Acyl CoA:diacylglycerol acyltransferase (DGAT) inhibitors such as 4-[4-(4-Amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]bicyclo[2.2.2]oct-1-yl}acetic acid, useful for the treatment of non-insulin dependent diabetes, insulin resistance, impaired glucose tolerance and obesity in humans DGAT1, DGAT2, ACAT2 PNMT 1950/4885AKR1C1 206/4885DGAT1 1/4885

“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.