SCHEMBL20060910

SCHEMBL20060910

CN(C)C(=O)c1ccc(OCC[C@@H]2C[C@@H]2C2CCN(C(=O)c3c(F)cccc3F)CC2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 14/20 0.47
▸ KCNH2 Q12809 12/20 0.47
▸ HRH3 Q9Y5N1 2/20 0.41
▸ NR1H2 P55055 3/20 0.38
▸ NR1H3 Q13133 3/20 0.38
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 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
SCHEMBL22311072 1.00 GPR119 (0.47) GPR119KCNH2HRH3NR1H2NR1H3
SCHEMBL22310617 0.93 HRH3 (0.41) GPR119KCNH2HRH3NR1H2NR1H3
SCHEMBL20060897 0.82 GPR119 (0.51) GPR119KCNH2HRH3NR1H2NR1H3
SCHEMBL22311332 0.81 GPR119 (0.42) GPR119KCNH2HRH3HCRTR1
SCHEMBL22310500 0.81 GPR119 (0.42) GPR119KCNH2HRH3HCRTR1
SCHEMBL25547247 0.80 NR1H2 (0.64) GPR119KCNH2HRH3NR1H2NR1H3
SCHEMBL20060918 0.79 NR1H2 (0.54) GPR119KCNH2HRH3NR1H2NR1H3
SCHEMBL20068735 0.79 NR1H2 (0.54) GPR119KCNH2HRH3NR1H2NR1H3
SCHEMBL20060926 0.79 NR1H2 (0.39) GPR119KCNH2HRH3NR1H2NR1H3
SCHEMBL18872651 0.76 NR1H2 (0.61) NR1H2NR1H3HCRTR1HCRTR2

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-11655216-B2 Aryl and heteroaryl ether derivatives as liver X receptor beta agonists, compositions, and their use MERCK SHARP & DOHME LLC (US) 2023-05-23 — — US disclosed
US-11655216-B2 Aryl and heteroaryl ether derivatives as liver X receptor beta agonists, compositions, and their use MERCK SHARP & DOHME LLC (US) 2023-05-23 — — US disclosed
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-2018071317-A1 ARYL AND HETEROARYL ETHER DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS MERCK SHARP & DOHME CORP. (US) 2018-04-19 — — WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 15/4885KCNH2 2600/4885HRH3 544/4885
US-11655216-B2 Aryl and heteroaryl ether derivatives as liver X receptor beta agonists, compositions, and their use NR1H2, NR1H3, NR1H4 GPR119 15/4885KCNH2 2600/4885HRH3 544/4885

“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.

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