SCHEMBL22311102

SCHEMBL22311102

CN(C)C(=O)c1ccc(O[C@H]2C[C@@H](CC3CCN(C(=O)C(F)(F)F)CC3)C2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 3/20 0.45
▸ NR1H3 Q13133 3/20 0.45
▸ PDK2 Q15119 3/20 0.42
▸ FFAR4 Q5NUL3 4/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ HRH1 P35367 7/20 0.35
▸ CCR3 P51677 7/20 0.35
▸ KCNH2 Q12809 4/20 0.35
▸ ALK Q9UM73 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
SCHEMBL30451108 0.89 HRH1 (0.38) NR1H2NR1H3FFAR4HRH3HRH1
SCHEMBL22311115 0.87 NR1H2 (0.62) NR1H2NR1H3PDK2HRH1CCR3
SCHEMBL25551636 0.87 NR1H2 (0.62) NR1H2NR1H3PDK2HRH1CCR3
SCHEMBL20061096 0.87 NR1H2 (0.62) NR1H2NR1H3PDK2HRH1CCR3
SCHEMBL30450973 0.87 NR1H2 (0.62) NR1H2NR1H3PDK2HRH1CCR3
SCHEMBL20060947 0.87 NR1H2 (0.62) NR1H2NR1H3PDK2HRH1CCR3
SCHEMBL20060951 0.86 HRH3 (0.39) FFAR4HRH3HRH1CCR3KCNH2
SCHEMBL20061047 0.86 GPR119 (0.49) NR1H2NR1H3
SCHEMBL20061049 0.86 GPR119 (0.49) NR1H2NR1H3
SCHEMBL20068553 0.86 GPR119 (0.49) NR1H2NR1H3

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 2 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

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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