SCHEMBL2454977

SCHEMBL2454977

C1CCC[C]([C]2CCCCCCC2)CCC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 2/20 0.43
TRIM33 Q9UPN9 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
NOS3 P29474 3/20 0.30
NOS1 P29475 3/20 0.30
NOS2 P35228 3/20 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
SCHEMBL22558141 1.00 TRIM24 (0.43) TRIM24TRIM33ALDH1A1TSHRCASP1
SCHEMBL6004083 1.00 TRIM24 (0.43) TRIM24TRIM33ALDH1A1TSHRCASP1
SCHEMBL2447831 1.00 TRIM24 (0.43) TRIM24TRIM33ALDH1A1TSHRCASP1
SCHEMBL5378424 1.00 TRIM24 (0.43) TRIM24TRIM33ALDH1A1TSHRCASP1
SCHEMBL3988343 0.94 TRIM24 (0.39) TRIM24TRIM33ALDH1A1TSHR
SCHEMBL7577171 0.82
SCHEMBL502191 0.67 TRIM24 (0.43) TRIM24TRIM33ALDH1A1TSHRCASP1
SCHEMBL1332943 0.67 TRIM24 (0.43) TRIM24TRIM33ALDH1A1TSHRCASP1
SCHEMBL6797157 0.67 TRIM24 (0.43) TRIM24TRIM33ALDH1A1TSHRCASP1
SCHEMBL365601 0.67 TRIM24 (0.43) TRIM24TRIM33ALDH1A1TSHRCASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116063243-A Aromatic compound, preparation method, intermediate, pharmaceutical composition and application thereof 上海旭成医药科技有限公司 2023-05-05 CN claimed
US-20100311737-A1 PYRIMIDO [4,5-B] -OXAZINES FOR USE AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-09 US claimed
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 claimed
EP-1966221-A1 PYRIMIDO- [4, 5-]-OXAZINES FOR USE AS DGAT INHIBITORS AstraZeneca AB (SE) 2008-09-10 EP claimed
WO-2007071966-A1 PYRIMIDO- [4, 5-B] -OXAZINES FOR USE AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2007-06-28 WO claimed
US-8592010-B2 Optical compensation films MERCK PATENT GMBH (DE) 2013-11-26 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-20100208181-A1 OPTICAL COMPENSATION FILMS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-08-19 US disclosed
US-7749997-B2 Pyrimido [4,5-B] -Oxazines for use as DGAT inhibitors ASTRAZENECA AB (CH) 2010-07-06 US disclosed
US-7511110-B2 Crosslinkable polyorganosiloxane compositions WACKER CHEMIE AG (DE) 2009-03-31 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
US-7285368-B2 Polymerizable ester having sulfonamide structure, polymer, resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-10-23 US disclosed
WO-2007071966-A1 PYRIMIDO- [4, 5-B] -OXAZINES FOR USE AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2007-06-28 WO disclosed
US-20060135689-A1 Crosslinkable polyorganosiloxane compositions WACKER CHEMIE GMBH (DE) 2006-06-22 US disclosed
US-20050003303-A1 Polymerizable ester having sulfonamide structure, polymer, resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2005-01-06 US disclosed
EP-0872484-B1 ORGANOSILICON COMPOUNDS, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT CHISSO CORP (JP) 2002-10-02 EP disclosed
US-5993690-A Organosilicon compound, liquid crystal composition, and liquid-crystal display element CHISSO CORPORATION (JP) 1999-11-30 US disclosed
EP-0872484-A1 ORGANOSILICON COMPOUNDS, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1998-10-21 EP 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 TRIM24 4356/4885TRIM33 4359/4885ALDH1A1 38/4885
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 TRIM24 3707/4885TRIM33 4549/4885ALDH1A1 111/4885

“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.