SCHEMBL2177564

SCHEMBL2177564

CC(C)OC(=O)N1CCc2cc(CO)ccc2C1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 4/20 0.50
ESR2 Q92731 2/20 0.47
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
NAMPT P43490 5/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
S1PR1 P21453 2/20 0.42
ESR1 P03372 1/20 0.41
NR1H2 P55055 1/20 0.41
ACE P12821 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAP3K5 Q99683 1/20 0.40
ACACB O00763 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
SCHEMBL2178804 0.95 ABHD6 (0.49) ABHD6ESR2TMEM97SIGMAR1NAMPT
SCHEMBL3176570 0.83 ABHD6 (0.47) ABHD6ESR2TMEM97SIGMAR1S1PR1
SCHEMBL12408702 0.83 ESR2 (0.67) ABHD6ESR2TMEM97SIGMAR1ESR1
SCHEMBL14117003 0.83 ABHD6 (0.53) ABHD6ESR2ESR1NR1H2MEN1
SCHEMBL168265 0.82 ESR2 (0.70) ABHD6ESR2TMEM97SIGMAR1NAMPT
SCHEMBL29407529 0.82 ESR2 (0.70) ABHD6ESR2TMEM97SIGMAR1NAMPT
SCHEMBL7850845 0.80 NR1H2 (0.49) ABHD6ESR2TMEM97SIGMAR1NAMPT
SCHEMBL120959 0.80 TMEM97 (0.50) ABHD6ESR2TMEM97SIGMAR1MAP3K5
SCHEMBL120960 0.80 ESR2 (0.45) ABHD6ESR2TMEM97SIGMAR1NAMPT
SCHEMBL16634622 0.79 NAMPT (0.49) ESR2TMEM97SIGMAR1NAMPTESR1

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 6 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
US-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-01-28 US disclosed
EP-2114890-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-11-11 EP disclosed
WO-2009105715-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-08-27 WO disclosed
WO-2008097428-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2008-08-14 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 (2 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-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GCGR, GPR65 ABHD6 474/4885ESR2 218/4885TMEM97 318/4885
US-20110166176-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 ABHD6 863/4885ESR2 125/4885TMEM97 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.