Sugi Predict

Sugi Predict / Compounds / SCHEMBL2453128

SCHEMBL2453128

SCHEMBL2453128

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CHRM1 P11229 1/20 0.39
▸ HSD11B1 P28845 1/20 0.38
▸ CYP4F2 P78329 1/20 0.34
▸ CYP4A11 Q02928 1/20 0.34
▸ LMNA P02545 1/20 0.32
▸ FFAR3 O14843 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ IDH1 O75874 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ ADORA2A P29274 1/20 0.30
▸ ADORA1 P30542 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
SCHEMBL646389 0.93 CHRM1 (0.41) NPSR1CHRM1HSD11B1CYP4F2CYP4A11
SCHEMBL28410137 0.91 CHRM1 (0.41) NPSR1CHRM1HSD11B1CYP4F2CYP4A11
SCHEMBL2451039 0.91 NPSR1 (0.46) NPSR1CHRM1HSD11B1CYP4F2CYP4A11
SCHEMBL1567508 0.88 NPSR1 (0.38) NPSR1CHRM1HSD11B1CYP4F2CYP4A11
SCHEMBL1566238 0.85 NPSR1 (0.39) NPSR1CHRM1HSD11B1CYP4F2CYP4A11
SCHEMBL3213118 0.85 NPSR1 (0.39) NPSR1CHRM1HSD11B1CYP4F2CYP4A11
SCHEMBL2445606 0.83 NPSR1 (0.46) NPSR1CHRM1HSD11B1CYP4F2CYP4A11
SCHEMBL9959207 0.82 NPSR1 (0.43) NPSR1CHRM1HSD11B1CYP4F2CYP4A11
SCHEMBL17893428 0.81 FFAR3 (0.38) FFAR3
SCHEMBL1536077 0.80 NPSR1 (0.38) NPSR1CHRM1HSD11B1CYP4F2CYP4A11

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-20220002309-A1 SSAO INHIBITORS AND USES THEREOF METACRINE, INC. 2022-01-06 — — US disclosed
US-20220002309-A1 SSAO INHIBITORS AND USES THEREOF METACRINE, INC. 2022-01-06 — — US disclosed
US-20200181104-A1 SSAO INHIBITORS AND USES THEREOF METACRINE, INC. 2020-06-11 — — US disclosed
US-20200181104-A1 SSAO INHIBITORS AND USES THEREOF METACRINE, INC. 2020-06-11 — — 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-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
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 (4 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-20220002309-A1 SSAO INHIBITORS AND USES THEREOF AOX1, AOC2, MAOA NPSR1 1940/4885CHRM1 2502/4885HSD11B1 1050/4885
US-20100311737-A1 PYRIMIDO [4,5-B] -OXAZINES FOR USE AS DGAT INHIBITORS DGAT1, DGAT2, GPR119 NPSR1 1405/4885CHRM1 2454/4885HSD11B1 324/4885
US-20200181104-A1 SSAO INHIBITORS AND USES THEREOF AOX1, AOC2, MAOA NPSR1 1940/4885CHRM1 2502/4885HSD11B1 1050/4885
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 4476/4885CHRM1 2214/4885HSD11B1 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.