SCHEMBL20060904

SCHEMBL20060904

O=C(c1ccc(OCCCCC2CCN(C(=O)C(O)(c3ccccc3)C(F)(F)F)CC2)cc1Cl)N1CCC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 2/20 0.47
▸ NR1H3 Q13133 2/20 0.47
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ GPR119 Q8TDV5 3/20 0.39
▸ THRB P10828 1/20 0.38
▸ CHRM3 P20309 4/20 0.38
▸ CHRM2 P08172 3/20 0.38
▸ CHRM1 P11229 3/20 0.38
▸ KCNA5 P22460 1/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ NAMPT P43490 1/20 0.36
▸ TEAD1 P28347 1/20 0.36
▸ TEAD3 Q99594 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
SCHEMBL30451087 1.00 NR1H2 (0.47) NR1H2NR1H3CYP2C9CYP2C19HTR2B
SCHEMBL22311345 1.00 NR1H2 (0.47) NR1H2NR1H3CYP2C9CYP2C19HTR2B
SCHEMBL22284420 1.00 NR1H2 (0.47) NR1H2NR1H3CYP2C9CYP2C19HTR2B
SCHEMBL22311059 0.92 NR1H2 (0.46) NR1H2NR1H3CYP2C9CYP2C19HTR2B
SCHEMBL22284458 0.92 NR1H2 (0.46) NR1H2NR1H3CYP2C9CYP2C19HTR2B
SCHEMBL30451528 0.92 NR1H2 (0.46) NR1H2NR1H3CYP2C9CYP2C19HTR2B
SCHEMBL22284456 0.92 NR1H2 (0.46) NR1H2NR1H3CYP2C9CYP2C19HTR2B
SCHEMBL20068717 0.91 NR1H2 (0.50) NR1H2NR1H3GPR119THRBCHRM3
SCHEMBL22284380 0.91 NR1H2 (0.50) NR1H2NR1H3GPR119THRBCHRM3
SCHEMBL20060903 0.91 NR1H2 (0.50) NR1H2NR1H3GPR119THRBCHRM3

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-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
WO-2018071317-A1 ARYL AND HETEROARYL ETHER DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS MERCK SHARP & DOHME CORP. (US) 2018-04-19 — — WO disclosed
WO-2018068295-A1 ARYL AND HETEROARYL ETHER DERIVATIVES AS LIVER X RECEPTOR β AGONISTS, COMPOSITIONS, AND THEIR USE 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 (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 2/4885CYP2C9 127/4885
US-11655216-B2 Aryl and heteroaryl ether derivatives as liver X receptor beta agonists, compositions, and their use NR1H2, NR1H3, NR1H4 NR1H2 1/4885NR1H3 2/4885CYP2C9 127/4885

“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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