SCHEMBL20060972

SCHEMBL20060972

Cc1nc(OC2CCC3(CC2)CCN(C(=O)C(O)(c2cccc(OC4CC4)c2)C(F)(F)F)CC3)ccc1C(=O)N(C)C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.47
NR1H2 P55055 4/20 0.42
NR1H3 Q13133 4/20 0.42
HCRTR1 O43613 5/20 0.35
HCRTR2 O43614 5/20 0.35
ABHD6 Q9BV23 4/20 0.34
MGLL Q99685 3/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
FAAH O00519 1/20 0.33
PDK2 Q15119 2/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL20068592 1.00 GPR119 (0.47) GPR119NR1H2NR1H3HCRTR1HCRTR2
SCHEMBL30451033 1.00 GPR119 (0.47) GPR119NR1H2NR1H3HCRTR1HCRTR2
SCHEMBL22311044 0.87 NR1H2 (0.44) GPR119NR1H2NR1H3HCRTR1HCRTR2
SCHEMBL22311043 0.87 NR1H2 (0.44) GPR119NR1H2NR1H3HCRTR1HCRTR2
SCHEMBL30451141 0.87 NR1H2 (0.44) GPR119NR1H2NR1H3HCRTR1HCRTR2
SCHEMBL20061098 0.87 NR1H2 (0.44) GPR119NR1H2NR1H3HCRTR1HCRTR2
SCHEMBL20068593 0.84 GPR119 (0.47) GPR119HCRTR1HCRTR2ABHD6MGLL
SCHEMBL30451002 0.83 NR1H2 (0.51) NR1H2NR1H3ABHD6MGLLPDK2
SCHEMBL20068703 0.83 NR1H2 (0.51) NR1H2NR1H3ABHD6MGLLPDK2
SCHEMBL20060823 0.83 NR1H2 (0.51) NR1H2NR1H3ABHD6MGLLPDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200247754-A1 ARYL AND HETEROARYL ETHER DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2020-08-06 US disclosed
WO-2018068295-A1 ARYL AND HETEROARYL ETHER DERIVATIVES AS LIVER X RECEPTOR β AGONISTS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2018-04-19 WO disclosed
WO-2018071317-A1 ARYL AND HETEROARYL ETHER DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS MERCK SHARP & DOHME CORP. (US) 2018-04-19 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-20200247754-A1 ARYL AND HETEROARYL ETHER DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE NR1H2, NR1H3, NR1H4 GPR119 15/4885NR1H2 1/4885NR1H3 2/4885

“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.