SCHEMBL20060973

SCHEMBL20060973

CN(C)C(=O)c1ccc(OCC2CC3(CCN(C(=O)C(O)(c4ccccc4)C(F)(F)F)CC3)C2)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 4/20 0.57
▸ NR1H3 Q13133 4/20 0.57
▸ PDK2 Q15119 4/20 0.39
▸ GPR119 Q8TDV5 6/20 0.37
▸ FFAR4 Q5NUL3 4/20 0.36
▸ PTGIR P43119 1/20 0.36
▸ DRD3 P35462 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ CHRM3 P20309 1/20 0.35

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
SCHEMBL30452019 1.00 NR1H2 (0.57) NR1H2NR1H3PDK2GPR119FFAR4
SCHEMBL20061073 1.00 NR1H2 (0.57) NR1H2NR1H3PDK2GPR119FFAR4
SCHEMBL30452109 0.92 NR1H2 (0.56) NR1H2NR1H3PDK2GPR119FFAR4
SCHEMBL22311400 0.92 NR1H2 (0.56) NR1H2NR1H3PDK2GPR119FFAR4
SCHEMBL20061074 0.92 NR1H2 (0.56) NR1H2NR1H3PDK2GPR119FFAR4
SCHEMBL22311075 0.92 NR1H2 (0.55) NR1H2NR1H3GPR119
SCHEMBL20061043 0.92 NR1H2 (0.55) NR1H2NR1H3GPR119
SCHEMBL30451102 0.92 NR1H2 (0.55) NR1H2NR1H3GPR119
SCHEMBL30450977 0.89 NR1H2 (0.42) NR1H2NR1H3PDK2GPR119FFAR4
SCHEMBL20061018 0.89 NR1H2 (0.42) NR1H2NR1H3PDK2GPR119FFAR4

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-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 NR1H2 1/4885NR1H3 2/4885PDK2 2381/4885
US-11655216-B2 Aryl and heteroaryl ether derivatives as liver X receptor beta agonists, compositions, and their use NR1H2, NR1H3, NR1H4 NR1H2 1/4885NR1H3 2/4885PDK2 2381/4885

“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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