SCHEMBL2452202

SCHEMBL2452202

N#CCC12CCC(c3ccccc3)(CC1)CC2

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.50
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
OPRM1 P35372 4/20 0.37
HSD17B10 Q99714 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
MEN1 O00255 1/20 0.35
CYP2C9 P11712 1/20 0.35
KMT2A Q03164 1/20 0.35
DPP4 P27487 1/20 0.34
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33

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
SCHEMBL2450279 0.75 PNMT (0.54) PNMTHTTOPRM1MAOAMAOB
SCHEMBL8315393 0.72 TSHR (0.57) TSHRHTTHSD17B10MAOAMAOB
SCHEMBL8319137 0.72 TSHR (0.53) TSHRHTTOPRM1HSD17B10MAOA
SCHEMBL2857720 0.71 TSHR (0.55) TSHRHTTHSD17B10MAOAMAOB
SCHEMBL2453935 0.71 DGAT1 (0.49) PNMTTSHRHTTOPRM1KMT2A
SCHEMBL10588840 0.71 PNMT (0.48) PNMTOPRM1MAOAMAOBTAAR1
SCHEMBL8107080 0.68 MAOA (0.46) TSHRHTTOPRM1HSD17B10MAOA
SCHEMBL15577243 0.68 TSHR (0.42) TSHRHTTOPRM1HSD17B10MAOA
SCHEMBL15577188 0.68 ICMT (0.43) TSHRHTTHSD17B10MAOAMAOB
SCHEMBL5147525 0.68 OPRM1 (0.55) TSHRHTTOPRM1HSD17B10MAOA

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-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 PNMT 593/4885TSHR 1081/4885HTT 2526/4885
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 1950/4885TSHR 2125/4885HTT 3803/4885

“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.