SCHEMBL608689

SCHEMBL608689

[2H][C@]12C[C@H]1C[C@@H](COc1cc(Cl)nc(Cl)c1)N(C(=O)OC(C)(C)C)C2

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
GPR119 Q8TDV5 2/20 0.33
HDAC8 Q9BY41 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SRC P12931 4/20 0.33
PARP1 P09874 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
SCHEMBL608281 0.89 NR1H2 (0.36) CHRNB2CHRNA4HSP90AA1HSP90AB1GPR119
SCHEMBL609142 0.87 ATXN2 (0.33) HSP90AA1HSP90AB1HDAC8MEN1KMT2A
SCHEMBL10145590 0.80 CHRNA3 (0.37) CHRNB2CHRNA4GPR119
SCHEMBL609058 0.76 NR1H2 (0.34) HSP90AA1HSP90AB1HDAC8MEN1KMT2A
SCHEMBL30149908 0.76 IL1B (0.39) GPR119
SCHEMBL7859303 0.70 ALDH1A1 (0.38) GPR119HDAC8MEN1KMT2ASRC
SCHEMBL20241498 0.69 EPHA2 (0.50)
SCHEMBL23377691 0.69 PIK3CD (0.43) HSP90AA1HSP90AB1GPR119MEN1KMT2A
SCHEMBL7409578 0.68 CHRNA3 (0.45) CHRNB2CHRNA4GPR119
SCHEMBL7409573 0.68 CHRNA3 (0.45) CHRNB2CHRNA4GPR119

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 1 patent. 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

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 CHRNB2 120/4885CHRNA4 69/4885HSP90AA1 2454/4885

“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.