SCHEMBL2821149

SCHEMBL2821149

COc1ccc2ccc(F)c(CC(O)CN3CCC(NC(=O)O)CC3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.44
KCNH2 Q12809 5/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
PTGS2 P35354 1/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
MCHR1 Q99705 1/20 0.37
SCN1A P35498 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 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
SCHEMBL1036797 0.81 SLC2A1 (0.42) SLC2A1KCNH2MTNR1AMTNR1BMCHR1
SCHEMBL2822641 0.78 KCNH2 (0.49) SLC2A1KCNH2
SCHEMBL3155389 0.75 MTNR1A (0.48) SLC2A1KCNH2MTNR1AMTNR1BPRMT5
SCHEMBL3153644 0.74 MTNR1A (0.41) SLC2A1KCNH2MTNR1AMTNR1B
SCHEMBL3541372 0.73 KCNH2 (0.52) SLC2A1KCNH2
SCHEMBL3328929 0.72 CHRM1 (0.42) SLC2A1MTNR1AMTNR1BPRMT5WDR77
SCHEMBL3333076 0.72 CHRM1 (0.42) SLC2A1MTNR1AMTNR1BPRMT5WDR77
SCHEMBL2937076 0.71 KCNH2 (0.45) SLC2A1KCNH2
SCHEMBL1267791 0.71 SLC2A1 (0.40) SLC2A1KCNH2MTNR1AMTNR1B
SCHEMBL3148938 0.71 SLC2A1 (0.41) SLC2A1KCNH2MTNR1AMTNR1BMCHR1

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
EP-2041145-B1 AZATRICYCLIC COMPOUNDS AND THEIR USE GLAXO GROUP LTD (GB) 2010-10-27 EP disclosed
US-20100004230-A1 AZATRICYCLIC COMPOUNDS AND THEIR USE GLAXO GROUP LIMITED (GB) 2010-01-07 US disclosed
EP-2041145-A1 AZATRICYCLIC COMPOUNDS AND THEIR USE Glaxo Group Limited (GB) 2009-04-01 EP disclosed
WO-2008003690-A1 AZATRICYCLIC COMPOUNDS AND THEIR USE GLAXO GROUP LIMITED (GB) 2008-01-10 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-20100004230-A1 AZATRICYCLIC COMPOUNDS AND THEIR USE AADAC, AZI2, NNMT SLC2A1 4507/4885KCNH2 2592/4885MTNR1A 2202/4885

“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.