SCHEMBL22284418

SCHEMBL22284418

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 2/20 0.45
▸ NR1H3 Q13133 2/20 0.45
▸ CHRM2 P08172 3/20 0.38
▸ CHRM1 P11229 3/20 0.38
▸ CHRM3 P20309 3/20 0.38
▸ THRB P10828 1/20 0.38
▸ CHRM5 P08912 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ P2RX7 Q99572 4/20 0.37
▸ ITGB3 P05106 2/20 0.36
▸ ITGA2B P08514 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GPR119 Q8TDV5 2/20 0.35
▸ PTGIR P43119 1/20 0.35
▸ PDK2 Q15119 1/20 0.35

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
SCHEMBL30452088 1.00 NR1H2 (0.45) NR1H2NR1H3CHRM2CHRM1CHRM3
SCHEMBL22284416 1.00 NR1H2 (0.45) NR1H2NR1H3CHRM2CHRM1CHRM3
SCHEMBL22311362 1.00 NR1H2 (0.45) NR1H2NR1H3CHRM2CHRM1CHRM3
SCHEMBL22311354 0.91 NR1H2 (0.47) NR1H2NR1H3CHRM2CHRM1CHRM3
SCHEMBL30451661 0.91 NR1H2 (0.47) NR1H2NR1H3CHRM2CHRM1CHRM3
SCHEMBL22311097 0.91 NR1H2 (0.47) NR1H2NR1H3CHRM2CHRM1CHRM3
SCHEMBL20060922 0.91 NR1H2 (0.37) NR1H2NR1H3CHRM2CHRM1CHRM3
SCHEMBL22284450 0.89 NR1H2 (0.46) NR1H2NR1H3KMT2AALDH1A1GPR119
SCHEMBL22284448 0.89 NR1H2 (0.46) NR1H2NR1H3KMT2AALDH1A1GPR119
SCHEMBL22311278 0.89 NR1H2 (0.46) NR1H2NR1H3KMT2AALDH1A1GPR119

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 3 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

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 2/4885CHRM2 170/4885
US-11655216-B2 Aryl and heteroaryl ether derivatives as liver X receptor beta agonists, compositions, and their use NR1H2, NR1H3, NR1H4 NR1H2 1/4885NR1H3 2/4885CHRM2 170/4885

“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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