SCHEMBL3486933

SCHEMBL3486933

CCCNC(=O)c1ccc(N2CCC(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.69
SMN1; SMN2 Q16637 3/20 0.58
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
CYP2C19 P33261 1/20 0.58
HTT P42858 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
KDM4E B2RXH2 1/20 0.54
PKM P14618 1/20 0.54
CHRNA10 Q9GZZ6 1/20 0.52
CHRNA9 Q9UGM1 1/20 0.52

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
SCHEMBL3486845 0.92 GPR119 (0.69) GPR119SMN1; SMN2KMT2AMEN1CYP2C19
SCHEMBL13757746 0.88 SMN1; SMN2 (0.55) GPR119SMN1; SMN2KMT2AMEN1CYP2C19
SCHEMBL3487767 0.85 GPR119 (0.76) GPR119SMN1; SMN2KMT2AMEN1CYP2C19
SCHEMBL3486537 0.83 GPR119 (0.76) GPR119SMN1; SMN2KMT2AMEN1CYP2C19
SCHEMBL8509255 0.83 GPR119 (0.62) GPR119SMN1; SMN2KMT2AMEN1CYP2C19
SCHEMBL3485718 0.82 GPR119 (0.78) GPR119SMN1; SMN2KMT2AMEN1CYP2C19
SCHEMBL3486856 0.82 GPR119 (1.00) GPR119KMT2AMEN1LMNAMAPT
SCHEMBL2945397 0.82 GPR119 (0.81) GPR119KMT2ALMNAMAPT
SCHEMBL10316012 0.81 GPR119 (0.72) GPR119SMN1; SMN2KMT2AMEN1CYP2C19
SCHEMBL10316006 0.81 GPR119 (0.75) GPR119SMN1; SMN2KMT2AMEN1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445499-B2 Bipiperidinyl compounds, compositions, containing such compounds and methods of treatment MERCK SHARP & DOHME CORP. (US) 2013-05-21 US disclosed
US-8399485-B2 Acyl bipiperidinyl compounds useful as GPR 119 agonists MERCK SHARP & DOHME CORP. (US) 2013-03-19 US disclosed
US-20120178681-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS, CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. (US) 2012-07-12 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 1/4885SMN1; SMN2 3131/4885KMT2A 4306/4885
US-20120178681-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS, CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GPR139, GPR27 GPR119 1/4885SMN1; SMN2 3170/4885KMT2A 4763/4885

“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.