SCHEMBL3387128

SCHEMBL3387128

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRC P12931 8/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
GPR119 Q8TDV5 1/20 0.36
ABCB1 P08183 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NR1H2 P55055 3/20 0.35
NR1H3 Q13133 2/20 0.35
PARP1 P09874 1/20 0.35
SMYD2 Q9NRG4 1/20 0.34
HTRA1 Q92743 1/20 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
SCHEMBL13309095 1.00 SRC (0.38) SRCJAK2JAK1GPR119ABCB1
SCHEMBL16584539 1.00 SRC (0.38) SRCJAK2JAK1GPR119ABCB1
SCHEMBL29035279 0.93 GPR119 (0.39) SRCJAK2JAK1GPR119ABCB1
SCHEMBL607982 0.90 SMYD2 (0.39) SRCJAK2JAK1GPR119ABCB1
SCHEMBL2795827 0.89 SMYD2 (0.36) JAK2JAK1MEN1KMT2ASMYD2
SCHEMBL14486195 0.89 SMYD2 (0.36) JAK2JAK1MEN1KMT2ASMYD2
SCHEMBL5156955 0.88 SRC (0.39) SRCJAK2JAK1GPR119ABCB1
SCHEMBL5152621 0.88 CYP1A2 (0.41) SRCJAK2JAK1GPR119ABCB1
SCHEMBL5150301 0.88 CYP1A2 (0.41) SRCJAK2JAK1GPR119ABCB1
SCHEMBL5156962 0.88 SRC (0.39) SRCJAK2JAK1GPR119ABCB1

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-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 US disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 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 (2 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-20100144760-A1 NOVEL COMPOUNDS HTR3B, HTR1B, HTR2B SRC 1902/4885JAK2 1007/4885JAK1 1970/4885
US-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, NPY2R SRC 4161/4885JAK2 4537/4885JAK1 4760/4885

“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.