SCHEMBL925798

SCHEMBL925798

CS(=O)(=O)c1ccc(N2CCC(C3CCN(c4cnc(Cl)cn4)CC3)CC2)nc1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.65
KCNH2 Q12809 1/20 0.45
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 2/20 0.44
OGA O60502 1/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP2D6 P10635 1/20 0.41

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
SCHEMBL10316058 0.87 GPR119 (0.66) GPR119KCNH2KDM4EGAAKMT2A
SCHEMBL10316054 0.87 GPR119 (0.84) GPR119KCNH2KMT2AALDH1A1
SCHEMBL10316056 0.84 GPR119 (0.74) GPR119KCNH2KMT2AOGA
SCHEMBL3619924 0.83 GPR119 (0.58) GPR119KDM4EGAAKMT2AOGA
SCHEMBL14138626 0.82 GPR119 (0.62) GPR119KDM4EGAAKMT2AOGA
SCHEMBL10316057 0.80 GPR119 (0.73) GPR119KCNH2GAAKMT2AOGA
SCHEMBL10276517 0.79 GPR119 (1.00) GPR119KMT2A
SCHEMBL10316052 0.79 GPR119 (0.71) GPR119KCNH2KMT2AOGA
SCHEMBL10316053 0.78 GPR119 (0.61) GPR119KDM4EGAAKMT2AOGA
SCHEMBL3617639 0.77 GPR119 (0.60) GPR119KDM4EGAAKMT2AOGA

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-8455520-B2 Soluble epoxide hydrolase inhibitors, compositions containing such compounds and methods of treatment MERCK SHARP & DOHME CORP. (US) 2013-06-04 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-20110039860-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. 2011-02-17 US disclosed
US-20110003849-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. 2011-01-06 US disclosed
US-20100197691-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME LLC 2010-08-05 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 (5 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-20100197691-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT EPHX1, EPHX2, PTGIS GPR119 149/4885KCNH2 1674/4885KDM4E 3299/4885
US-20110003849-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT EPHX1, EPHX2, PTGIS GPR119 136/4885KCNH2 1729/4885KDM4E 3239/4885
US-20100029688-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GPR139, GPR27 GPR119 1/4885KCNH2 1186/4885KDM4E 4611/4885
US-20110039860-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT EPHX1, EPHX2, PTGIS GPR119 224/4885KCNH2 1913/4885KDM4E 2946/4885
US-20120178681-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS, CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GPR139, GPR27 GPR119 1/4885KCNH2 1063/4885KDM4E 4616/4885

“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.