SCHEMBL2453319

SCHEMBL2453319

CO/C=C/C12CCC(c3ccccc3)(CC1)CC2

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.46
OPRM1 P35372 5/20 0.34
OPRL1 P41146 4/20 0.34
OPRK1 P41145 3/20 0.34
DPP4 P27487 1/20 0.32
OPRD1 P41143 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
DRD4 P21917 1/20 0.30

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
SCHEMBL2453320 1.00 PNMT (0.46) PNMTOPRM1OPRL1OPRK1DPP4
SCHEMBL19207539 0.76 OPRM1 (0.38) PNMTOPRM1OPRL1OPRK1DPP4
SCHEMBL28702200 0.76 OPRM1 (0.38) PNMTOPRM1OPRL1OPRK1DPP4
SCHEMBL2447393 0.71 PNMT (0.54) PNMTOPRM1OPRL1OPRK1DPP4
SCHEMBL1502311 0.64 MEN1 (0.51) PNMTOPRM1OPRL1OPRK1MEN1
SCHEMBL20743911 0.64 PNMT (0.45) PNMTOPRM1OPRL1OPRK1MEN1
SCHEMBL2454321 0.64 OPRM1 (0.44) PNMTOPRM1OPRL1OPRK1OPRD1
SCHEMBL11046911 0.63 PNMT (1.00) PNMTOPRM1OPRL1OPRK1DPP4
SCHEMBL21131203 0.63 PNMT (0.54) PNMTOPRM1OPRL1OPRK1
SCHEMBL9951558 0.62 HTR2A (0.35) OPRM1OPRK1

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 6 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-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-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

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 593/4885OPRM1 1064/4885OPRL1 757/4885
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 1950/4885OPRM1 2186/4885OPRL1 2146/4885

“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.