SCHEMBL5450713

SCHEMBL5450713

COC(=O)C1(C)OCC(CCCCN2c3ccccc3Sc3ccccc32)CO1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 10/20 0.48
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HTR1A P08908 4/20 0.43
DRD2 P14416 4/20 0.43
SLC6A2 P23975 4/20 0.43
SLC6A4 P31645 4/20 0.43
ADRA1A P35348 4/20 0.43
DRD3 P35462 4/20 0.43
KCNH2 Q12809 4/20 0.43
SLC6A3 Q01959 3/20 0.43
CYP1A2 P05177 3/20 0.43
CHRM2 P08172 3/20 0.43
CYP2D6 P10635 3/20 0.43
CHRM1 P11229 3/20 0.43
ADRA2B P18089 3/20 0.43
ADRA2C P18825 3/20 0.43
HTR2A P28223 3/20 0.43
HRH1 P35367 3/20 0.43
HTR2B P41595 3/20 0.43

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
SCHEMBL5450268 0.88 KDM1A (0.49) KDM1AMEN1KMT2AHTR1ADRD2
SCHEMBL5460714 0.87 NPSR1 (0.45) KDM1ACHRM1HDAC6GFERLMNA
SCHEMBL5450510 0.86 P2RX4 (0.40) MEN1KMT2ACHRM1HDAC6PIM1
SCHEMBL1871932 0.84 KDM1A (0.47) KDM1AMEN1KMT2AHTR1ADRD2
SCHEMBL5452847 0.82 ALDH1A1 (0.44) MEN1KMT2AHDAC6GFERMAPT
SCHEMBL5456844 0.80 CHRM1 (0.52) MEN1KMT2ADRD2ADRA1AKCNH2
SCHEMBL4252057 0.79 PPARG (0.44) KDM1AMEN1KMT2AHDAC6GFER
SCHEMBL4243315 0.79 PPARG (0.44) KDM1AMEN1KMT2AHDAC6GFER
SCHEMBL5442407 0.77 PPARG (0.47)
SCHEMBL5456798 0.77 HDAC6 (0.44) HDAC6SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070105847-A1 1,3-Dioxane derivatives and analogues thereof useful in the treatment of i.a. obesity and diabetes CADILA HEALTHCARE LIMITED (IN) 2007-05-10 US claimed
EP-1709035-A1 1 , 3 - DIOXANE DERIVATIVES AND ANALOGUES THEREOF USEFUL IN THE TREATMENT OF I.A. OBESITY AND DIABETES CADILA HEALTHCARE LTD. (IN) 2006-10-11 EP claimed
WO-2005077943-A1 1 , 3 - DIOXANE DERIVATIVES AND ANALOGUES THEREOF USEFUL IN THE TREATMENT OF I.A. OBESITY AND DIABETES CADILA HEALTHCARE LIMITED (IN) 2005-08-25 WO claimed
US-20070105847-A1 1,3-Dioxane derivatives and analogues thereof useful in the treatment of i.a. obesity and diabetes CADILA HEALTHCARE LIMITED (IN) 2007-05-10 US disclosed
EP-1709035-A1 1 , 3 - DIOXANE DERIVATIVES AND ANALOGUES THEREOF USEFUL IN THE TREATMENT OF I.A. OBESITY AND DIABETES CADILA HEALTHCARE LTD. (IN) 2006-10-11 EP disclosed
WO-2005077943-A1 1 , 3 - DIOXANE DERIVATIVES AND ANALOGUES THEREOF USEFUL IN THE TREATMENT OF I.A. OBESITY AND DIABETES CADILA HEALTHCARE LIMITED (IN) 2005-08-25 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 (1 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-20070105847-A1 1,3-Dioxane derivatives and analogues thereof useful in the treatment of i.a. obesity and diabetes GPR119, PPARG, FABP4 KDM1A 2195/4885MEN1 4676/4885KMT2A 3704/4885

“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.