SCHEMBL609845

SCHEMBL609845

CC(C)OC(=O)N1CC(O[C@H](C)C(=O)O)C1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
PDE4B Q07343 2/20 0.33
HDAC2 Q92769 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
MMP1 P03956 2/20 0.32
MMP13 P45452 2/20 0.32
MMP3 P08254 1/20 0.32
MMP7 P09237 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
RORC P51449 2/20 0.31
GPR119 Q8TDV5 3/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL608827 0.87 PDE4B (0.40) PDE4BMMP1MMP13MMP3MMP7
SCHEMBL19686595 0.85 CHRNB2 (0.37) CHRNB2CHRNA4PDE4BHDAC2CHRNB4
SCHEMBL609844 0.83 CHRNB2 (0.38) CHRNB2CHRNA4PDE4BHDAC2CHRNB4
SCHEMBL611813 0.83 GPR119 (0.41) PDE4BMMP1MMP13MMP3MMP7
SCHEMBL608195 0.80 NR1H2 (0.45) RORCGPR119
SCHEMBL19686575 0.78 CHRNB2 (0.40) CHRNB2CHRNA4PDE4BHDAC2CHRNB4
SCHEMBL14752960 0.74 MAPT (0.39) CHRNB2CHRNA4PDE4BHDAC2CHRNB4
SCHEMBL12206742 0.74 HDAC2 (0.36) CHRNB2CHRNA4PDE4BHDAC2CHRNB4
SCHEMBL12206738 0.74 CHRNB2 (0.38) CHRNB2CHRNA4PDE4BHDAC2CHRNB4
SCHEMBL10139547 0.74 CHRNB2 (0.50) CHRNB2CHRNA4PDE4BHDAC2CHRNB4

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-20120040953-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-02-16 US disclosed
US-20120040953-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-02-16 US disclosed
US-20120040953-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-02-16 US 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-20120040953-A1 Compounds for the Treatment of Metabolic Disorders GPR119, GPR132, FFAR2 CHRNB2 1174/4885CHRNA4 1589/4885PDE4B 451/4885

“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.