SCHEMBL608281

SCHEMBL608281

CC(C)(C)OC(=O)N1C[C@H]2C[C@H]2C[C@H]1COc1cc(Cl)nc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
CHRNB2 P17787 2/20 0.34
CHRNA4 P43681 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
SRC P12931 4/20 0.33
GPR119 Q8TDV5 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL608689 0.89 CHRNB2 (0.35) HSP90AA1HSP90AB1CHRNB2CHRNA4MEN1
SCHEMBL609058 0.86 NR1H2 (0.34) NR1H2HSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL10145590 0.82 CHRNA3 (0.37) CHRNB2CHRNA4GPR119
SCHEMBL7859303 0.80 ALDH1A1 (0.38) NR1H2MEN1KMT2AHDAC8SRC
SCHEMBL30149908 0.77 IL1B (0.39) GPR119
SCHEMBL609142 0.76 ATXN2 (0.33) HSP90AA1HSP90AB1MEN1KMT2AHDAC8
SCHEMBL7869396 0.75 CNR1 (0.38) GPR119
SCHEMBL24909668 0.74 NR1H2 (0.42) NR1H2MEN1KMT2ASRCCYP1A2
SCHEMBL16589445 0.74 NR1H2 (0.42) NR1H2MEN1KMT2ASRCCYP1A2
SCHEMBL610838 0.74 HCRTR1 (0.38) NR1H2GPR119

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-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-02-16 US disclosed
US-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-02-16 US disclosed
WO-2010122151-A1 3 -AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-10-28 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-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, NPY2R NR1H2 66/4885HSP90AA1 2454/4885HSP90AB1 1993/4885

“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.