SCHEMBL5456844

SCHEMBL5456844

COC(=O)C1(C)OCC(CCCCN2C(=O)COc3ccccc32)CO1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 8/20 0.52
POLB P06746 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 2/20 0.48
DRD2 P14416 2/20 0.47
HTR2A P28223 2/20 0.47
MCHR1 Q99705 2/20 0.47
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM3 P20309 1/20 0.46
ADRA1A P35348 1/20 0.46
HRH1 P35367 1/20 0.46
ADRA1B P35368 1/20 0.46
KCNH2 Q12809 1/20 0.46
CBX7 O95931 1/20 0.46
CDYL2 Q8N8U2 1/20 0.46
CDYL Q9Y232 1/20 0.46
CDY1; CDY1B Q9Y6F8 1/20 0.46
SMPD1 P17405 1/20 0.45

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
SCHEMBL5448109 0.89 CHRM1 (0.52) CHRM1POLBHSD17B10ALDH1A1DRD2
SCHEMBL5450510 0.87 P2RX4 (0.40) CHRM1SMPD1MEN1KMT2A
SCHEMBL14533680 0.87 CHRM1 (0.51) CHRM1POLBHSD17B10ALDH1A1DRD2
SCHEMBL5796616 0.85 CHRM1 (0.52) CHRM1POLBHSD17B10ALDH1A1DRD2
SCHEMBL5442407 0.82 PPARG (0.47)
SCHEMBL5460714 0.82 NPSR1 (0.45) CHRM1ALDH1A1
SCHEMBL5444656 0.81 TSHR (0.46) POLBALDH1A1KCNH2KMT2A
SCHEMBL5450713 0.80 KDM1A (0.48) CHRM1ALDH1A1DRD2HTR2ACHRM2
SCHEMBL5456849 0.78 CHRM1 (0.48) CHRM1POLBHSD17B10ALDH1A1DRD2
SCHEMBL5456798 0.76 HDAC6 (0.44)

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 5 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
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 1165/4885POLB 2226/4885HSD17B10 207/4885

“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.