SCHEMBL10316042

SCHEMBL10316042

Cc1cc(N2CCC(C3CCN(c4ccc(C(F)(F)F)cn4)CC3)CC2)nc(C)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.56
KDM4E B2RXH2 2/20 0.52
ABL1 P00519 1/20 0.52
LMNA P02545 1/20 0.52
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 2/20 0.49
PHGDH O43175 1/20 0.49
KCNH2 Q12809 2/20 0.49
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
CYP3A4 P08684 2/20 0.48
MAPT P10636 3/20 0.47
GAA P10253 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
CXCR3 P49682 1/20 0.47
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46

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
SCHEMBL3618525 0.84 GPR119 (0.54) GPR119KDM4EALDH1A1KCNH2MAPT
SCHEMBL3648943 0.81 GPR119 (0.55) GPR119KMT2AKCNH2DRD2SMO
SCHEMBL31182215 0.77 LMNA (0.62) GPR119KDM4EABL1LMNAMEN1
SCHEMBL764799 0.76 KDM4E (0.64) GPR119KDM4EABL1LMNAMEN1
SCHEMBL3625222 0.75 GPR119 (0.59) GPR119KDM4ELMNAMEN1ALDH1A1
SCHEMBL3614451 0.75 GPR119 (0.71) GPR119KDM4ELMNAALDH1A1KMT2A
SCHEMBL821334 0.74 KDM4E (0.61) GPR119KDM4EABL1LMNAMEN1
SCHEMBL1244712 0.74 KDM4E (0.68) GPR119KDM4EABL1LMNAMEN1
SCHEMBL1351273 0.74 KDM4E (0.68) GPR119KDM4EABL1LMNAMEN1
SCHEMBL30567092 0.74 KDM4E (0.68) GPR119KDM4EABL1LMNAMEN1

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 7 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-8445499-B2 Bipiperidinyl compounds, compositions, containing such compounds and methods of treatment MERCK SHARP & DOHME CORP. (US) 2013-05-21 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-20120178681-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS, CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. (US) 2012-07-12 US disclosed
US-20100029688-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. 2010-02-04 US disclosed
US-20100029688-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. 2010-02-04 US disclosed
WO-2008085316-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2008-07-17 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 (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-20100029688-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GPR139, GPR27 GPR119 1/4885KDM4E 4611/4885ABL1 4378/4885
US-20120178681-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS, CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GPR139, GPR27 GPR119 1/4885KDM4E 4616/4885ABL1 4299/4885

“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.