SCHEMBL3625205

SCHEMBL3625205

Cc1cc(N2CCC(C3CCN(c4nc(N(C)C)ns4)CC3)CC2)nc(C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.41
KCNH2 Q12809 4/20 0.41
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
GAA P10253 2/20 0.37
ALOX15 P16050 1/20 0.37
SORD Q00796 2/20 0.36
HRH4 Q9H3N8 1/20 0.35
GBA1 P04062 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KIT P10721 2/20 0.34
FLT3 P36888 2/20 0.34
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL14138659 0.77 GPR119 (0.43) GPR119ALDH1A1L3MBTL1MAPTTDP1
SCHEMBL3610712 0.76 PIM1 (0.37)
SCHEMBL3627171 0.74 GPR119 (0.53) GPR119KCNH2HRH3
SCHEMBL10316041 0.74 GPR119 (0.49) GPR119KCNH2ALDH1A1KDM4EL3MBTL1
SCHEMBL3620663 0.73 GPR119 (0.48) GPR119KCNH2ALDH1A1KDM4EL3MBTL1
SCHEMBL16222432 0.73 SMN1; SMN2 (0.60) GPR119KCNH2ALDH1A1KDM4EL3MBTL1
SCHEMBL10316065 0.73 GPR119 (0.36) GPR119MAPTSMN1; SMN2TP53HRH3
SCHEMBL14917927 0.72 TSHR (0.35) ALDH1A1KDM4ESMN1; SMN2ALOX15MEN1
SCHEMBL10316059 0.71 SMN1; SMN2 (0.35) GPR119ALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL3622421 0.71 GPR119 (0.52) GPR119ALDH1A1KDM4EMAPTSMN1; SMN2

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 10 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-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-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
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 1/4885KCNH2 1186/4885ALDH1A1 3273/4885
US-20120178681-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS, CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GPR139, GPR27 GPR119 1/4885KCNH2 1063/4885ALDH1A1 3200/4885

“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.