SCHEMBL2452105

SCHEMBL2452105

[N-]=[N+]=CC(=O)C12CCC(CC1)C(c1ccccc1)CC2

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.36
SLC6A3 Q01959 7/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
CHRNA7 P36544 1/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
KCNQ4 P56696 1/20 0.33
KCNQ5 Q9NR82 1/20 0.33
SLC6A2 P23975 4/20 0.32
SLC6A4 P31645 4/20 0.32
ATM Q13315 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HDAC4 P56524 1/20 0.32

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
SCHEMBL5012327 0.78 KDM4E (0.33) SLC6A3KDM4EMAPTHPGDCHRNA7
SCHEMBL2453458 0.72 PNMT (0.46) NPSR1CYP1A2CYP2C9CYP2C19HDAC4
SCHEMBL25214265 0.67 NPSR1 (0.41) NPSR1CYP1A2CYP2C9CYP2C19HDAC4
SCHEMBL2451987 0.62 HSD11B1 (0.55)
Bicarbonate SCHEMBL7575978 0.61 HDAC4 (0.50) NPSR1SLC6A3KDM4EMAPTHPGD
SCHEMBL31618388 0.60 TGM2 (0.38)
SCHEMBL7234341 0.59 KDM4E (0.43) NPSR1SLC6A3KDM4EMAPTHPGD
Bicarbonate SCHEMBL7569185 0.58 MEN1 (0.57) NPSR1KDM4EMAPTHPGDKCNQ3
SCHEMBL7915525 0.58 CHRNA7 (0.50) SLC6A3CHRNA7SLC6A2CYP1A2CYP2C9
SCHEMBL21611474 0.57 KCNQ3 (0.64) SLC6A3HPGDKCNQ3KCNQ2KCNQ4

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 4 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

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 NPSR1 1405/4885SLC6A3 306/4885KDM4E 2847/4885
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 NPSR1 4476/4885SLC6A3 1470/4885KDM4E 1223/4885

“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.