SCHEMBL20077552

SCHEMBL20077552

C[C@@H](CCCC1CCN(C(=O)OC(C)(C)C)CC1)Nc1ccc(C(=O)N(C)C)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 15/20 0.49
▸ NR1H2 P55055 3/20 0.44
▸ NR1H3 Q13133 3/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL20077553 1.00 GPR119 (0.49) GPR119NR1H2NR1H3NPC1ALDH1A1
SCHEMBL20077044 0.86 GPR119 (0.61) GPR119NR1H2NR1H3
SCHEMBL22284298 0.84 GPR119 (0.55) GPR119NR1H2NR1H3
SCHEMBL30451601 0.84 GPR119 (0.55) GPR119NR1H2NR1H3
SCHEMBL20068578 0.84 GPR119 (0.55) GPR119NR1H2NR1H3
SCHEMBL30450987 0.84 GPR119 (0.55) GPR119NR1H2NR1H3
SCHEMBL20061031 0.84 GPR119 (0.55) GPR119NR1H2NR1H3
SCHEMBL20077321 0.82 SLC6A4 (0.40) NR1H2NR1H3
SCHEMBL20077320 0.82 SLC6A4 (0.40) NR1H2NR1H3
SCHEMBL20077110 0.81 GPR119 (0.55) GPR119NR1H2NR1H3

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-10894775-B2 Piperidine derivatives as liver X receptor beta agonists, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2021-01-19 — — US disclosed
WO-2018068296-A1 PIPERIDINE 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 (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 GPR119 7/4885NR1H2 1/4885NR1H3 2/4885

“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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