SCHEMBL30452467

SCHEMBL30452467

C[C@H](CCC1CCN(C(=O)[C@](O)(c2ccccc2)C(F)(F)F)CC1)COc1ccc(C(=O)N(C)C)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.60
NR1H3 Q13133 4/20 0.60
PDK2 Q15119 6/20 0.41
CHRM2 P08172 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
GPR119 Q8TDV5 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
NPC1 O15118 1/20 0.34
HRH1 P35367 1/20 0.34
CCR3 P51677 1/20 0.34
KCNH2 Q12809 1/20 0.34
RORC P51449 1/20 0.34

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
SCHEMBL20061025 1.00 NR1H2 (0.60) NR1H2NR1H3PDK2CHRM2CHRM1
SCHEMBL25547485 1.00 NR1H2 (0.60) NR1H2NR1H3PDK2CHRM2CHRM1
SCHEMBL30452744 1.00 NR1H2 (0.60) NR1H2NR1H3PDK2CHRM2CHRM1
SCHEMBL30451042 0.92 NR1H2 (0.60) NR1H2NR1H3PDK2CHRM2CHRM1
SCHEMBL22311066 0.92 NR1H2 (0.60) NR1H2NR1H3PDK2CHRM2CHRM1
SCHEMBL22311064 0.92 NR1H2 (0.60) NR1H2NR1H3PDK2CHRM2CHRM1
SCHEMBL22311065 0.92 NR1H2 (0.60) NR1H2NR1H3PDK2CHRM2CHRM1
SCHEMBL22311068 0.92 NR1H2 (0.60) NR1H2NR1H3PDK2CHRM2CHRM1
SCHEMBL30451540 0.92 NR1H2 (0.60) NR1H2NR1H3PDK2CHRM2CHRM1
SCHEMBL30451594 0.92 NR1H2 (0.60) NR1H2NR1H3PDK2CHRM2CHRM1

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
EP-3526196-B1 ARYL AND HETEROARYL ETHER DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS MERCK SHARP & DOHME LLC (US) 2026-03-18 EP 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

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-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.