SCHEMBL2945833

SCHEMBL2945833

O=C(O)CC12CCCC(c3ccccc3)(CC1)CC2

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.45
PNMT P11086 1/20 0.43
HSD11B1 P28845 5/20 0.41
AKR1C1 Q04828 1/20 0.41
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
SOAT1 P35610 1/20 0.40
TSHR P16473 1/20 0.39
HDAC4 P56524 2/20 0.37
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35

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
SCHEMBL2453935 0.93 DGAT1 (0.49) DGAT1PNMTHSD11B1AKR1C1PKM
SCHEMBL12303003 0.83 PNMT (0.38) DGAT1PNMTAKR1C1KMT2AHDAC4
SCHEMBL16089707 0.83 TSHR (0.44) DGAT1PNMTHSD11B1AKR1C1PKM
SCHEMBL2946081 0.79 DGAT1 (0.43) DGAT1HSD11B1SOAT1
SCHEMBL25025703 0.77 HSD11B1 (0.46) DGAT1PNMTHSD11B1AKR1C1PKM
SCHEMBL2255789 0.75 PNMT (0.42) DGAT1PNMTKMT2AOPRM1OPRL1
SCHEMBL2452508 0.74 PNMT (0.52) DGAT1PNMTHSD11B1AKR1C1KMT2A
SCHEMBL625584 0.73 HSD11B1 (0.64) HSD11B1AKR1C1PKMKMT2ATSHR
SCHEMBL2450279 0.72 PNMT (0.54) PNMTAKR1C1OPRM1OPRL1SMN1; SMN2
SCHEMBL24901900 0.72 NR4A2 (0.50) PKMKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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 DGAT1 1/4885PNMT 593/4885HSD11B1 324/4885
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 DGAT1 1/4885PNMT 1950/4885HSD11B1 437/4885

“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.