SCHEMBL611103

SCHEMBL611103

CC(C)(C)OC(=O)N1CC=CC[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMYD2 Q9NRG4 2/20 0.35
GPR119 Q8TDV5 1/20 0.34
NR1H2 P55055 2/20 0.34
NR1H3 Q13133 2/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
SRC P12931 4/20 0.33
PARP1 P09874 1/20 0.33
HDAC1 Q13547 1/20 0.33
HCRTR2 O43614 1/20 0.33
ABCB1 P08183 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
SCHEMBL31048319 0.89 NR1H2 (0.36) MEN1KMT2ASMYD2GPR119NR1H2
SCHEMBL3390114 0.89 SMYD2 (0.37) SMYD2
SCHEMBL31122925 0.86 SMYD2 (0.37) MEN1KMT2ASMYD2GPR119NR1H2
SCHEMBL30723526 0.84 MEN1 (0.37) MEN1KMT2ASMYD2GPR119NR1H2
SCHEMBL15317915 0.84 MEN1 (0.37) MEN1KMT2ASMYD2GPR119NR1H2
SCHEMBL1293340 0.83 KDM4E (0.36) MEN1KMT2ASMYD2GPR119KDM4E
SCHEMBL29007757 0.83 KDM4E (0.36) MEN1KMT2ASMYD2GPR119KDM4E
SCHEMBL1293342 0.83 KDM4E (0.36) MEN1KMT2ASMYD2GPR119KDM4E
SCHEMBL3388517 0.82 MEN1 (0.34) MEN1KMT2ASMYD2GPR119NR1H2
SCHEMBL29035250 0.81 MEN1 (0.39) MEN1KMT2ASMYD2GPR119NR1H2

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
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 MEN1 1353/4885KMT2A 1395/4885SMYD2 3421/4885
US-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, NPY2R MEN1 1144/4885KMT2A 1244/4885SMYD2 4026/4885

“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.