SCHEMBL609844

SCHEMBL609844

COC(=O)[C@@H](C)OC1CN(C(=O)OC(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.38
CHRNA4 P43681 3/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
PDE4B Q07343 3/20 0.36
HDAC2 Q92769 1/20 0.34
HSD11B1 P28845 1/20 0.31
TSHR P16473 1/20 0.31
MMP1 P03956 1/20 0.31
MMP3 P08254 1/20 0.31
MMP7 P09237 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL609845 0.83 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3PDE4B
SCHEMBL19686595 0.83 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3PDE4B
SCHEMBL21063456 0.81 KDM1A (0.33) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL21098062 0.81 NR1H2 (0.43) PDE4B
SCHEMBL21063482 0.81 NR1H2 (0.43) PDE4B
SCHEMBL609419 0.81 NR1H2 (0.43) PDE4B
SCHEMBL19686575 0.79 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3PDE4B
SCHEMBL14290751 0.75 CHRNB2 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3PDE4B
SCHEMBL608827 0.72 PDE4B (0.40) PDE4BHSD11B1MMP1MMP3MMP7
SCHEMBL12206742 0.71 HDAC2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3PDE4B

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-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
WO-2010103335-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-09-16 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-20120040953-A1 Compounds for the Treatment of Metabolic Disorders GPR119, GPR132, FFAR2 CHRNB2 1174/4885CHRNA4 1589/4885CHRNB4 1485/4885

“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.