SCHEMBL22284448

SCHEMBL22284448

O=C(NC1CC1)c1ccc(OCCCCC2CCN(C(=O)[C@@](O)(c3ccccc3)C(F)(F)F)CC2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 2/20 0.46
▸ NR1H3 Q13133 2/20 0.46
▸ GPR119 Q8TDV5 3/20 0.46
▸ SLC6A12 P48065 1/20 0.41
▸ CRHR1 P34998 6/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ NTRK1 P04629 1/20 0.38
▸ SLC6A5 Q9Y345 1/20 0.38
▸ CRHR2 Q13324 1/20 0.37

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
SCHEMBL22284450 1.00 NR1H2 (0.46) NR1H2NR1H3GPR119SLC6A12CRHR1
SCHEMBL30451172 1.00 NR1H2 (0.46) NR1H2NR1H3GPR119SLC6A12CRHR1
SCHEMBL22311278 1.00 NR1H2 (0.46) NR1H2NR1H3GPR119SLC6A12CRHR1
SCHEMBL30452059 0.92 NR1H2 (0.42) NR1H2NR1H3GPR119SLC6A12NTRK1
SCHEMBL22310611 0.92 NR1H2 (0.42) NR1H2NR1H3GPR119SLC6A12NTRK1
SCHEMBL22311052 0.92 NR1H2 (0.42) NR1H2NR1H3GPR119SLC6A12NTRK1
SCHEMBL20068717 0.90 NR1H2 (0.50) NR1H2NR1H3GPR119KCNH2
SCHEMBL22284380 0.90 NR1H2 (0.50) NR1H2NR1H3GPR119KCNH2
SCHEMBL20060903 0.90 NR1H2 (0.50) NR1H2NR1H3GPR119KCNH2
SCHEMBL30451587 0.90 NR1H2 (0.50) NR1H2NR1H3GPR119KCNH2

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
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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