SCHEMBL22284397

SCHEMBL22284397

COc1cccc(C(O)(C(=O)N2CCC(CCCCOc3ccc(C(=O)O)c(OC)c3)CC2)C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.39
▸ NR1H2 P55055 1/20 0.38
▸ NR1H3 Q13133 1/20 0.38
▸ CACNA1B Q00975 2/20 0.38
▸ HRH3 Q9Y5N1 3/20 0.37
▸ PAX8 Q06710 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ MET P08581 1/20 0.37
▸ GPR119 Q8TDV5 4/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HTT P42858 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
SCHEMBL30451556 1.00 HSD11B1 (0.39) HSD11B1NR1H2NR1H3CACNA1BHRH3
SCHEMBL22284395 1.00 HSD11B1 (0.39) HSD11B1NR1H2NR1H3CACNA1BHRH3
SCHEMBL30451035 0.94 KMT2A (0.39) HSD11B1NR1H2NR1H3CACNA1BPAX8
SCHEMBL22310579 0.94 KMT2A (0.39) HSD11B1NR1H2NR1H3CACNA1BPAX8
SCHEMBL22284408 0.91 NR1H2 (0.45) HSD11B1NR1H2NR1H3CACNA1BHRH3
SCHEMBL30451645 0.91 NR1H2 (0.45) HSD11B1NR1H2NR1H3CACNA1BHRH3
SCHEMBL22310516 0.91 NR1H2 (0.45) HSD11B1NR1H2NR1H3CACNA1BHRH3
SCHEMBL22284406 0.91 NR1H2 (0.45) HSD11B1NR1H2NR1H3CACNA1BHRH3
SCHEMBL22311355 0.84 NR1H2 (0.41) NR1H2NR1H3CACNA1BCYP2D6GPR119
SCHEMBL22310606 0.84 NR1H2 (0.53) NR1H2NR1H3CACNA1BHRH3CYP2D6

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-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
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 HSD11B1 101/4885NR1H2 1/4885NR1H3 2/4885
US-11655216-B2 Aryl and heteroaryl ether derivatives as liver X receptor beta agonists, compositions, and their use NR1H2, NR1H3, NR1H4 HSD11B1 101/4885NR1H2 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.

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