SCHEMBL3486778

SCHEMBL3486778

CC(C)CC(=O)C(=O)N1CCC(C2CCN(c3ccc(S(C)(=O)=O)cc3)CC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 16/20 0.61
AKR1C3 P42330 1/20 0.47
KDM4E B2RXH2 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43

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
SCHEMBL13434279 0.90 GPR119 (0.61) GPR119AKR1C3KDM4ECYP2C9CYP2C19
SCHEMBL3486406 0.82 GPR119 (0.57) GPR119AKR1C3CTSBCTSSCTSK
SCHEMBL3486407 0.82 GPR119 (0.57) GPR119AKR1C3CTSBCTSSCTSK
SCHEMBL3487852 0.82 GPR119 (0.67) GPR119
SCHEMBL10276228 0.82 GPR119 (0.69) GPR119AKR1C3CTSBCTSSCTSK
SCHEMBL3486274 0.81 GPR119 (0.72) GPR119
SCHEMBL3486212 0.81 GPR119 (0.69) GPR119AKR1C3
SCHEMBL3486288 0.81 GPR119 (0.56) GPR119AKR1C3KDM4E
SCHEMBL3486603 0.81 GPR119 (0.64) GPR119AKR1C3
SCHEMBL3486215 0.80 GPR119 (0.60) GPR119AKR1C3

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 11 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-20100075987-A1 ACYL BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. 2010-03-25 US claimed
EP-2112880-A2 ACYL BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Merck & Co., Inc. (US) 2009-11-04 EP claimed
WO-2008076243-A2 ACYL BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2008-06-26 WO 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
EP-2112880-A2 ACYL BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Merck & Co., Inc. (US) 2009-11-04 EP disclosed
WO-2008076243-A2 ACYL BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2008-06-26 WO 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 1/4885AKR1C3 1257/4885KDM4E 4135/4885

“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.