SCHEMBL3625360

SCHEMBL3625360

Cc1ncc(F)c(N2CCC(C3CCN(c4ccc(Cl)cn4)CC3)CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.51
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDE10A Q9Y233 1/20 0.40
KCNH2 Q12809 2/20 0.39
MAPT P10636 3/20 0.39
CNR2 P34972 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTR1A P08908 2/20 0.38
DRD4 P21917 2/20 0.38
HTR2A P28223 2/20 0.38
HTR7 P34969 2/20 0.38
DRD3 P35462 2/20 0.38
DRD2 P14416 1/20 0.38
HTR2C P28335 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
SLC6A4 P31645 1/20 0.38

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
SCHEMBL3622680 0.88 GPR119 (0.53) GPR119IDO1TDO2KMT2APDE10A
SCHEMBL3627148 0.81 GPR119 (0.51) GPR119IDO1TDO2KCNH2MAPT
SCHEMBL10316043 0.78 GPR119 (0.48) GPR119KCNH2MAPTKDM4E
SCHEMBL3626387 0.77 SMN1; SMN2 (0.40) GPR119KMT2ASMN1; SMN2PDE10AKCNH2
SCHEMBL3648943 0.77 GPR119 (0.55) GPR119IDO1TDO2KMT2APDE10A
SCHEMBL3486741 0.76 KDM4E (0.47) GPR119KMT2ASMN1; SMN2KCNH2MAPT
SCHEMBL3487700 0.76 TSHR (0.44) GPR119KMT2ASMN1; SMN2KCNH2MAPT
SCHEMBL3625073 0.74 KDM4E (0.45) GPR119KMT2ASMN1; SMN2KCNH2MAPT
SCHEMBL4555145 0.74 SMN1; SMN2 (0.38) GPR119KMT2ASMN1; SMN2KCNH2MAPT
SCHEMBL3622953 0.72 IDO1 (0.44) IDO1TDO2KMT2ASMN1; SMN2MAPT

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 1/4885IDO1 3742/4885TDO2 3303/4885
US-20120178681-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS, CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GPR139, GPR27 GPR119 1/4885IDO1 3844/4885TDO2 3368/4885

“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.