SCHEMBL4040230

SCHEMBL4040230

CC(C)(C)OC(=O)N1CC=C[C@H]1CCO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.37
ATM Q13315 2/20 0.36
PREP P48147 1/20 0.35
CTSK P43235 1/20 0.35
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
HSD17B10 Q99714 1/20 0.32
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL4040236 1.00 NR1H2 (0.37) NR1H2ATMPREPCTSKLMNA
SCHEMBL24821656 0.88 NR1H2 (0.42) NR1H2PREPCTSKLMNANPSR1
SCHEMBL2227084 0.88 NR1H2 (0.42) NR1H2PREPCTSKLMNANPSR1
SCHEMBL1639634 0.88 NR1H2 (0.42) NR1H2PREPCTSKLMNANPSR1
SCHEMBL4049132 0.87 PREP (0.35) NR1H2ATMPREPCTSKLMNA
SCHEMBL4049137 0.87 PREP (0.35) NR1H2ATMPREPCTSKLMNA
SCHEMBL4045705 0.83 GPR119 (0.37) NR1H2PREPGPR119
SCHEMBL22950787 0.81 LMNA (0.35) NR1H2ATMPREPCTSKLMNA
SCHEMBL22950789 0.81 GPR119 (0.38) ATMGPR119
SCHEMBL13909121 0.81 LMNA (0.35) NR1H2ATMPREPCTSKLMNA

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
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US disclosed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS NR1H2 106/4885ATM 4216/4885PREP 1823/4885

“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.