SCHEMBL2453099

SCHEMBL2453099

O=C(Cl)C12CCC(c3ccccc3)(CC1)CC2

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.55
AKR1C1 Q04828 1/20 0.42
HDAC4 P56524 3/20 0.38
HSD11B1 P28845 4/20 0.37
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP2C9 P11712 1/20 0.35
DGAT1 O75907 1/20 0.35
SOAT1 P35610 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL2452042 0.83 PNMT (0.59) PNMTAKR1C1HDAC4HSD11B1OPRM1
SCHEMBL25025696 0.82 HSD11B1 (0.44) PNMTAKR1C1HDAC4HSD11B1LMNA
SCHEMBL31095821 0.81 MAPT (0.42) PNMTHDAC4LMNAMEN1KMT2A
SCHEMBL12302201 0.80 PNMT (0.55) PNMTAKR1C1HDAC4HSD11B1OPRM1
SCHEMBL15897778 0.80 PNMT (0.55) PNMTAKR1C1HDAC4HSD11B1OPRM1
SCHEMBL2452508 0.77 PNMT (0.52) PNMTAKR1C1HDAC4HSD11B1LMNA
SCHEMBL20743587 0.76 PNMT (0.50) PNMTAKR1C1HDAC4HSD11B1OPRM1
SCHEMBL1502311 0.76 MEN1 (0.51) PNMTAKR1C1HDAC4HSD11B1OPRM1
SCHEMBL844697 0.72 AKR1C1 (0.57) AKR1C1HDAC4HSD11B1LMNAMEN1
SCHEMBL16941990 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 US disclosed
US-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 US disclosed
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-17 US disclosed
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-17 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-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 (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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 PNMT 2027/4885AKR1C1 1875/4885HDAC4 2670/4885
US-20100311737-A1 PYRIMIDO [4,5-B] -OXAZINES FOR USE AS DGAT INHIBITORS DGAT1, DGAT2, GPR119 PNMT 593/4885AKR1C1 700/4885HDAC4 2613/4885
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 1950/4885AKR1C1 206/4885HDAC4 632/4885
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 PNMT 2027/4885AKR1C1 1875/4885HDAC4 2670/4885

“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.