SCHEMBL12302995

SCHEMBL12302995

COC(=O)CC12CC3CC(C1)CC(c1ccc(C(=O)C(C)(C)Br)cc1)(C3)C2

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
LMNA P02545 2/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
SPHK2 Q9NRA0 1/20 0.43
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RAD52 P43351 1/20 0.42
HPGD P15428 1/20 0.41
PGR P06401 1/20 0.40

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
SCHEMBL2945737 0.87 MEN1 (0.53) KMT2AMEN1LMNAGAAHTT
SCHEMBL2255527 0.82 MEN1 (0.52) KMT2AMEN1LMNAGAAHTT
SCHEMBL2257606 0.82 LMNA (0.56) KMT2AMEN1LMNAGAAHTT
SCHEMBL2450713 0.81 MEN1 (0.48) KMT2AMEN1LMNAGAAALDH1A1
SCHEMBL14518843 0.80 KMT2A (0.34) KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL12302991 0.80 DGAT1 (0.34) LMNAALDH1A1
SCHEMBL8082109 0.79 NPC1 (0.59) KMT2AMEN1LMNAGAAHTT
SCHEMBL2255114 0.76 HIF1A (0.48) KMT2AMEN1LMNAGAAHTT
SCHEMBL12303006 0.76 DGAT1 (0.32) LMNAALDH1A1
SCHEMBL2452481 0.73 POLB (0.43) KMT2AMEN1ALDH1A1HPGDPGR

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 KMT2A 1484/4885MEN1 3611/4885LMNA 4712/4885
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 KMT2A 688/4885MEN1 4450/4885LMNA 4479/4885

“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.