SCHEMBL22284408

SCHEMBL22284408

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 2/20 0.45
▸ NR1H3 Q13133 2/20 0.45
▸ GPR119 Q8TDV5 3/20 0.43
▸ CACNA1B Q00975 6/20 0.38
▸ HSD11B1 P28845 1/20 0.38
▸ THRA P10827 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ HRH3 Q9Y5N1 3/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ ACKR3 P25106 1/20 0.36
▸ FFAR1 O14842 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
SCHEMBL22310516 1.00 NR1H2 (0.45) NR1H2NR1H3GPR119CACNA1BHSD11B1
SCHEMBL22284406 1.00 NR1H2 (0.45) NR1H2NR1H3GPR119CACNA1BHSD11B1
SCHEMBL30451645 1.00 NR1H2 (0.45) NR1H2NR1H3GPR119CACNA1BHSD11B1
SCHEMBL22284457 0.92 NR1H2 (0.53) NR1H2NR1H3GPR119CACNA1BTHRA
SCHEMBL20061107 0.92 NR1H2 (0.53) NR1H2NR1H3GPR119CACNA1BTHRA
SCHEMBL30451702 0.92 NR1H2 (0.53) NR1H2NR1H3GPR119CACNA1BTHRA
SCHEMBL22310606 0.92 NR1H2 (0.53) NR1H2NR1H3GPR119CACNA1BTHRA
SCHEMBL22284395 0.91 HSD11B1 (0.39) NR1H2NR1H3GPR119CACNA1BHSD11B1
SCHEMBL22284397 0.91 HSD11B1 (0.39) NR1H2NR1H3GPR119CACNA1BHSD11B1
SCHEMBL22310579 0.91 KMT2A (0.39) NR1H2NR1H3GPR119CACNA1BHSD11B1

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 NR1H2 1/4885NR1H3 2/4885GPR119 15/4885
US-11655216-B2 Aryl and heteroaryl ether derivatives as liver X receptor beta agonists, compositions, and their use NR1H2, NR1H3, NR1H4 NR1H2 1/4885NR1H3 2/4885GPR119 15/4885

“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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