SCHEMBL20068695

SCHEMBL20068695

COc1cccc(C(C(=O)N2CCC3(CCC3CCCOc3ccc(C(=O)N(C)C)c(Cl)c3)CC2)C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.36
▸ GPR119 Q8TDV5 2/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ HTR1A P08908 2/20 0.35
▸ FFAR1 O14842 5/20 0.35
▸ NR1H2 P55055 3/20 0.34
▸ NR1H3 Q13133 3/20 0.34
▸ SLC6A9 P48067 1/20 0.33
▸ OPRK1 P41145 2/20 0.33
▸ OPRD1 P41143 1/20 0.32

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
SCHEMBL20060866 0.87 GPR119 (0.44) HCRTR1HCRTR2HRH3GPR119FFAR1
SCHEMBL20061083 0.85 NR1H2 (0.48) HCRTR1HCRTR2HRH3GPR119HTR1A
SCHEMBL20061081 0.85 NR1H2 (0.48) HCRTR1HCRTR2HRH3GPR119HTR1A
SCHEMBL30451268 0.85 NR1H2 (0.48) HCRTR1HCRTR2HRH3GPR119HTR1A
SCHEMBL20060926 0.82 NR1H2 (0.39) HCRTR1HCRTR2HRH3GPR119FFAR1
SCHEMBL20068607 0.81 ABHD6 (0.40) P2RX7NR1H2NR1H3SLC6A9
SCHEMBL20068552 0.80 HRH3 (0.41) HRH3GPR119
SCHEMBL20068692 0.80 GPR119 (0.49) HRH3GPR119NR1H2NR1H3
SCHEMBL20077739 0.80 NR1H2 (0.38) GPR119FFAR1NR1H2NR1H3OPRK1
SCHEMBL20061020 0.80 NR1H2 (0.47) HCRTR1HCRTR2HRH3GPR119HTR1A

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
WO-2018071317-A1 ARYL AND HETEROARYL ETHER DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS 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 (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 HCRTR1 359/4885HCRTR2 366/4885HRH3 544/4885

“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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