SCHEMBL2178804

SCHEMBL2178804

CC(C)OC(=O)N1CCc2ccc(CO)cc2C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 4/20 0.49
NR1H2 P55055 1/20 0.46
TMEM97 Q5BJF2 3/20 0.44
SIGMAR1 Q99720 3/20 0.44
NAMPT P43490 5/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
ESR2 Q92731 1/20 0.41
SYK P43405 1/20 0.41
ACE P12821 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MAP3K5 Q99683 1/20 0.40

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
SCHEMBL2177564 0.95 ABHD6 (0.50) ABHD6NR1H2TMEM97SIGMAR1NAMPT
SCHEMBL7850845 0.85 NR1H2 (0.49) ABHD6NR1H2TMEM97SIGMAR1NAMPT
SCHEMBL15624172 0.83 ABHD6 (0.52) ABHD6NR1H2TMEM97SIGMAR1ESR2
SCHEMBL1285596 0.82 NR1H2 (0.69) ABHD6NR1H2TMEM97SIGMAR1NAMPT
SCHEMBL29407557 0.82 NR1H2 (0.69) ABHD6NR1H2TMEM97SIGMAR1NAMPT
SCHEMBL6102363 0.79 ABHD6 (0.68) ABHD6ACEMEN1KMT2AHRH3
SCHEMBL27914873 0.79 NAMPT (0.49) NR1H2TMEM97SIGMAR1NAMPTESR2
SCHEMBL3176570 0.79 ABHD6 (0.47) ABHD6TMEM97SIGMAR1ESR2
SCHEMBL14117003 0.77 ABHD6 (0.53) ABHD6NR1H2ESR2MEN1KMT2A
SCHEMBL12408702 0.77 ESR2 (0.67) ABHD6NR1H2TMEM97SIGMAR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166176-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-07-07 US disclosed
EP-2262496-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-12-22 EP disclosed
WO-2009105715-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-08-27 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-20110166176-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 ABHD6 863/4885NR1H2 38/4885TMEM97 115/4885

“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.