SCHEMBL5444656

SCHEMBL5444656

COC(=O)C1(C)OCC(CCCCN2CCOc3ccccc32)CO1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.46
HTR1A P08908 1/20 0.45
SLC6A4 P31645 1/20 0.45
KMT2A Q03164 1/20 0.42
NOTUM Q6P988 1/20 0.41
KCNH2 Q12809 1/20 0.40
GRM5 P41594 1/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
RXFP1 Q9HBX9 2/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.36

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
SCHEMBL5453005 0.89 PPARA (0.45) TSHRHTR1ASLC6A4KMT2ANOTUM
SCHEMBL5450510 0.81 P2RX4 (0.40) KMT2A
SCHEMBL5452847 0.81 ALDH1A1 (0.44) KMT2ANOTUMMAPTALDH1A1POLB
SCHEMBL5456844 0.81 CHRM1 (0.52) KMT2AKCNH2ALDH1A1POLB
SCHEMBL4252335 0.81 TSHR (0.43) TSHRKMT2AMAPTHPGDRXFP1
SCHEMBL5444659 0.78 KMT2A (0.40) TSHRHTR1ASLC6A4KMT2ANOTUM
SCHEMBL5450713 0.76 KDM1A (0.48) TSHRHTR1ASLC6A4KMT2AKCNH2
SCHEMBL5442407 0.75 PPARG (0.47)
SCHEMBL5456798 0.75 HDAC6 (0.44)
SCHEMBL5460714 0.73 NPSR1 (0.45) TSHRALDH1A1LMNA

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
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

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 TSHR 623/4885HTR1A 970/4885SLC6A4 3993/4885

“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.