SCHEMBL5456849

SCHEMBL5456849

CC1OC(C)(C(=O)O)OCC1CCCCN1C(=O)COc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 9/20 0.48
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
DRD2 P14416 1/20 0.44
CHRM3 P20309 1/20 0.44
HTR2A P28223 1/20 0.44
ADRA1A P35348 1/20 0.44
HRH1 P35367 1/20 0.44
ADRA1B P35368 1/20 0.44
KCNH2 Q12809 1/20 0.44
MCHR1 Q99705 1/20 0.44
TSHR P16473 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL5450514 0.88 SIGMAR1 (0.37) CHRM1ALDH1A1MEN1KMT2A
SCHEMBL5448109 0.86 CHRM1 (0.52) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL5442411 0.83 PPARG (0.45)
SCHEMBL5460717 0.83 CHRM1 (0.43) CHRM1TSHRALDH1A1
SCHEMBL5444659 0.82 KMT2A (0.40) KCNH2TSHRALDH1A1POLBKMT2A
SCHEMBL5450715 0.81 KDM1A (0.44) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL5456844 0.78 CHRM1 (0.52) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL5456799 0.77 FABP4 (0.44) HTR2ATSHRCYP2C9CYP2C19ALDH1A1
SCHEMBL5796616 0.77 CHRM1 (0.52) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL5452854 0.74 ALDH1A1 (0.39) ALDH1A1POLBMEN1KMT2A

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-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
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 CHRM1 1165/4885CHRM2 1536/4885CHRM4 1849/4885

“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.