SCHEMBL22895032

SCHEMBL22895032

CN(C)C(=O)c1ccc(SC[C@@H]2C[C@@H]2C2CCN(C(=O)OC(C)(C)C)CC2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 5/20 0.46
▸ NR1H3 Q13133 5/20 0.46
▸ GPR119 Q8TDV5 9/20 0.43
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ RXRA P19793 1/20 0.38
▸ STS P08842 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ L3MBTL1 Q9Y468 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
SCHEMBL20060897 0.82 GPR119 (0.51) NR1H2NR1H3GPR119
SCHEMBL20077730 0.81 GPR119 (0.56) NR1H2NR1H3GPR119
SCHEMBL3486236 0.77 NR1H2 (0.66) NR1H2NR1H3GPR119
SCHEMBL20077130 0.77 NR1H2 (0.54) NR1H2NR1H3MEN1KMT2AMAPT
SCHEMBL22895030 0.77 NR1H2 (0.54) NR1H2NR1H3MEN1KMT2AMAPT
SCHEMBL30031581 0.76 NR1H2 (0.51) NR1H2NR1H3GPR119MEN1KMT2A
SCHEMBL20077132 0.75 NR1H2 (0.46) NR1H2NR1H3GPR119MEN1KMT2A
SCHEMBL30032228 0.75 ALDH1A1 (0.60) NR1H2NR1H3GPR119MEN1KMT2A
SCHEMBL22284361 0.75 GPR119 (0.53) NR1H2NR1H3GPR119
SCHEMBL22284362 0.75 GPR119 (0.53) NR1H2NR1H3GPR119

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 2/4885GPR119 7/4885

“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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