SCHEMBL2182776

SCHEMBL2182776

CC(C)OC(=O)N1CCC(ON=C2CCN(c3cc(N)c(N)cc3F)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 19/20 0.42
CYP2C9 P11712 3/20 0.41
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
KCNH2 Q12809 1/20 0.37

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
SCHEMBL2181798 0.95 GPR119 (0.42) GPR119CYP2C9KCNH2
SCHEMBL2181146 0.89 MAPT (0.54) GPR119CYP2C9MEN1CYP1A2MAPT
SCHEMBL2183219 0.89 GPR119 (0.40) GPR119CYP2C9KCNH2
SCHEMBL2180169 0.88 GPR119 (0.41) GPR119CYP2C9MAPTKCNH2
SCHEMBL2182323 0.87 ALDH1A1 (0.42) GPR119CYP2C9MEN1MAPTKMT2A
SCHEMBL2183497 0.87 DPP4 (0.41) GPR119CYP2C9KCNH2
SCHEMBL2183717 0.87 GPR119 (0.40) GPR119CYP2C9MAPTKCNH2
SCHEMBL2181824 0.87 GPR119 (0.40) GPR119CYP2C9KCNH2
SCHEMBL2181851 0.86 GPR119 (0.39) GPR119CYP2C9MAPTKCNH2
SCHEMBL2184549 0.86 DPP4 (0.40) GPR119CYP2C9KCNH2

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 4 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
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
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 4/4885CYP2C9 287/4885MEN1 163/4885

“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.