SCHEMBL22895062

SCHEMBL22895062

COc1cccc(C(O)(C(=O)N2CCC(CCCCNc3ccc(C(=O)N(C)C)c(Cl)c3)CC2)C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 4/20 0.54
▸ NR1H3 Q13133 4/20 0.54
▸ PDK2 Q15119 3/20 0.40
▸ GPR119 Q8TDV5 7/20 0.39
▸ KMT2A Q03164 2/20 0.36
▸ CHRM4 P08173 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
SCHEMBL20077326 0.91 NR1H2 (0.66) NR1H2NR1H3PDK2GPR119
SCHEMBL20077267 0.91 NR1H2 (0.66) NR1H2NR1H3PDK2GPR119
SCHEMBL20077052 0.90 NR1H2 (0.42) NR1H2NR1H3GPR119KMT2ACHRM4
SCHEMBL20077551 0.89 NR1H2 (0.53) NR1H2NR1H3PDK2KMT2ACHRM4
SCHEMBL22895048 0.89 NR1H2 (0.53) NR1H2NR1H3PDK2KMT2ACHRM4
SCHEMBL20077155 0.89 NR1H2 (0.53) NR1H2NR1H3PDK2KMT2ACHRM4
SCHEMBL20077156 0.89 NR1H2 (0.53) NR1H2NR1H3PDK2KMT2ACHRM4
SCHEMBL20077550 0.89 NR1H2 (0.53) NR1H2NR1H3PDK2KMT2ACHRM4
SCHEMBL22310606 0.89 NR1H2 (0.53) NR1H2NR1H3PDK2GPR119
SCHEMBL22284457 0.89 NR1H2 (0.53) NR1H2NR1H3PDK2GPR119

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10894775-B2 Piperidine derivatives as liver X receptor beta agonists, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2021-01-19 — — 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 (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-10894775-B2 Piperidine derivatives as liver X receptor beta agonists, compositions, and their use NR1H2, NR1H3, ADRB1 NR1H2 1/4885NR1H3 2/4885PDK2 1608/4885

“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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