SCHEMBL3486645

SCHEMBL3486645

CC(C)COC(=O)N1CCC(C2CCN(c3ccc(S(C)(=O)=O)cc3F)CC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 17/20 0.61
SLC6A9 P48067 2/20 0.52
CYP2C9 P11712 3/20 0.49
KCNH2 Q12809 2/20 0.49

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
SCHEMBL3486541 0.83 GPR119 (0.71) GPR119SLC6A9CYP2C9
SCHEMBL3487852 0.83 GPR119 (0.67) GPR119
SCHEMBL3929375 0.77 GPR119 (0.81) GPR119CYP2C9
SCHEMBL3938347 0.76 GPR119 (0.58) GPR119CYP2C9KCNH2
SCHEMBL4488416 0.76 GPR119 (1.00) GPR119CYP2C9
SCHEMBL2881370 0.75 GPR119 (0.51) GPR119SLC6A9CYP2C9
SCHEMBL2879359 0.74 GPR119 (0.52) GPR119SLC6A9CYP2C9KCNH2
SCHEMBL2184348 0.74 SLC6A9 (0.56) GPR119SLC6A9KCNH2
SCHEMBL4512501 0.74 GPR119 (0.60) GPR119
SCHEMBL2183152 0.74 GPR119 (0.59) GPR119CYP2C9KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399485-B2 Acyl bipiperidinyl compounds useful as GPR 119 agonists MERCK SHARP & DOHME CORP. (US) 2013-03-19 US claimed
US-8399485-B2 Acyl bipiperidinyl compounds useful as GPR 119 agonists MERCK SHARP & DOHME CORP. (US) 2013-03-19 US disclosed
US-8399485-B2 Acyl bipiperidinyl compounds useful as GPR 119 agonists MERCK SHARP & DOHME CORP. (US) 2013-03-19 US disclosed
US-20100075987-A1 ACYL BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. 2010-03-25 US disclosed
US-20100075987-A1 ACYL BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. 2010-03-25 US disclosed
WO-2008076243-A2 ACYL BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2008-06-26 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-20100075987-A1 ACYL BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GPR27, FFAR2 GPR119 1/4885SLC6A9 1019/4885CYP2C9 1815/4885

“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.