SCHEMBL609142

SCHEMBL609142

[2H][C@]12C[C@H]1C[C@@H](COc1cc(Cl)cc(Cl)n1)N(C(=O)OC(C)(C)C)C2

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATXN2 Q99700 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
KCNK3 O14649 2/20 0.32
KCNK9 Q9NPC2 2/20 0.32
HDAC8 Q9BY41 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
UCHL1 P09936 1/20 0.31
USP30 Q70CQ3 1/20 0.31
SRC P12931 4/20 0.31
PARP1 P09874 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
SCHEMBL609058 0.90 NR1H2 (0.34) ATXN2HSP90AA1HSP90AB1KCNK3KCNK9
SCHEMBL608689 0.87 CHRNB2 (0.35) HSP90AA1HSP90AB1HDAC8MEN1KMT2A
SCHEMBL10145584 0.81 GRM5 (0.36) ALDH1A1MEN1KMT2AUCHL1USP30
SCHEMBL608281 0.76 NR1H2 (0.36) HSP90AA1HSP90AB1HDAC8MEN1KMT2A
SCHEMBL7859303 0.76 ALDH1A1 (0.38) KCNK3KCNK9HDAC8ALDH1A1MEN1
SCHEMBL21722953 0.68 GPR119 (0.45)
SCHEMBL10145590 0.67 CHRNA3 (0.37) ALDH1A1
SCHEMBL10145372 0.67 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AUCHL1USP30
SCHEMBL7869396 0.67 CNR1 (0.38)
SCHEMBL611454 0.66 GPR119 (0.37)

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 ATXN2 2110/4885HSP90AA1 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.