SCHEMBL607982

SCHEMBL607982

CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2C[C@H]1CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.39
SRC P12931 8/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
CYP3A4 P08684 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ABCB1 P08183 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NR1H2 P55055 2/20 0.34
NR1H3 Q13133 2/20 0.34

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
SCHEMBL16584539 0.90 SRC (0.38) SMYD2SRCJAK2JAK1ABCB1
SCHEMBL3387128 0.90 SRC (0.38) SMYD2SRCJAK2JAK1ABCB1
SCHEMBL13309095 0.90 SRC (0.38) SMYD2SRCJAK2JAK1ABCB1
SCHEMBL10121548 0.89 SMYD2 (0.43) SMYD2CYP3A4HTTSMN1; SMN2ABCB1
SCHEMBL29035279 0.83 GPR119 (0.39) SRCJAK2JAK1ABCB1GPR119
SCHEMBL12353638 0.79 SMYD2 (0.39) SMYD2CYP3A4HTTSMN1; SMN2ABCB1
SCHEMBL7870512 0.79 SRC (0.37) SRCJAK2JAK1ABCB1GPR119
SCHEMBL30493247 0.78 NAMPT (0.47) SMYD2JAK2JAK1CYP3A4HTT
SCHEMBL2795827 0.78 SMYD2 (0.36) SMYD2JAK2JAK1CYP3A4HTT
SCHEMBL14486195 0.78 SMYD2 (0.36) SMYD2JAK2JAK1CYP3A4HTT

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 2 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

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 SMYD2 4026/4885SRC 4161/4885JAK2 4537/4885

“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.