SCHEMBL25547752

SCHEMBL25547752

CNC(=O)c1ccc(OCC[C@@H]2C[C@@H]2C2CCN(C(=O)[C@](N)(c3ccccc3)C(F)(F)F)CC2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 13/20 0.44
▸ KCNH2 Q12809 11/20 0.44
▸ NR1H2 P55055 1/20 0.39
▸ NR1H3 Q13133 1/20 0.39
▸ PTGIR P43119 2/20 0.38
▸ PTGDR Q13258 1/20 0.35
▸ HTR1A P08908 2/20 0.34
▸ DRD2 P14416 2/20 0.34
▸ HTR2A P28223 2/20 0.34
▸ ITGB3 P05106 1/20 0.34
▸ ITGA2B P08514 1/20 0.34
▸ SCN9A Q15858 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
SCHEMBL22311299 0.91 NR1H2 (0.49) GPR119KCNH2NR1H2NR1H3PTGIR
SCHEMBL22311301 0.91 NR1H2 (0.49) GPR119KCNH2NR1H2NR1H3PTGIR
SCHEMBL25549350 0.91 NR1H2 (0.49) GPR119KCNH2NR1H2NR1H3PTGIR
SCHEMBL22310515 0.85 GPR119 (0.42) GPR119KCNH2NR1H2NR1H3HTR1A
SCHEMBL22311060 0.84 GPR119 (0.46) GPR119KCNH2NR1H2NR1H3HTR1A
SCHEMBL22311061 0.84 GPR119 (0.46) GPR119KCNH2NR1H2NR1H3HTR1A
SCHEMBL20060908 0.83 GPR119 (0.44) GPR119KCNH2PTGIRHTR1ADRD2
SCHEMBL20061066 0.82 NR1H2 (0.46) GPR119KCNH2NR1H2NR1H3PTGIR
SCHEMBL22311051 0.82 NR1H2 (0.46) GPR119KCNH2NR1H2NR1H3PTGIR
SCHEMBL25547247 0.80 NR1H2 (0.64) GPR119KCNH2NR1H2NR1H3

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 1 patent. 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

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 GPR119 15/4885KCNH2 2600/4885NR1H2 1/4885

“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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