SCHEMBL2184347

SCHEMBL2184347

CS(=O)(=O)c1ccc(N2CCC(=NOC3CCN(c4ccccn4)CC3)CC2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.48
SLC6A9 P48067 5/20 0.44
KCNH2 Q12809 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GPR6 P46095 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
AOC3 Q16853 1/20 0.39

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
SCHEMBL2181751 0.87 GPR119 (0.49) GPR119SLC6A9KCNH2AOC3
SCHEMBL2181557 0.81 SLC6A9 (0.45) GPR119SLC6A9KCNH2
SCHEMBL13359137 0.81 SLC6A9 (0.45) GPR119SLC6A9KCNH2AOC3
SCHEMBL2184142 0.81 SLC6A9 (0.49) GPR119SLC6A9KCNH2
SCHEMBL2184722 0.78 SLC6A9 (0.54) GPR119SLC6A9
SCHEMBL2183244 0.78 GPR119 (0.59) GPR119
SCHEMBL2184001 0.77 GPR119 (0.63) GPR119SLC6A9KCNH2
SCHEMBL2183152 0.77 GPR119 (0.59) GPR119KCNH2
SCHEMBL2182314 0.77 GPR119 (0.49) GPR119SLC6A9
SCHEMBL2181458 0.77 SLC6A9 (0.41) GPR119SLC6A9KCNH2GPR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
EP-2445878-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO Boehringer Ingelheim International GmbH (DE) 2012-05-02 EP disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 US disclosed
WO-2010149684-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-29 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 (1 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-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO MC2R, REN, CYP11B2 GPR119 4/4885SLC6A9 2874/4885KCNH2 2188/4885

“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.