SCHEMBL607983

SCHEMBL607983

CC(C)(C)[C@@]12C[C@@H]1C[C@@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N(C(=O)O)C2

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.40
CYP3A4 P08684 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL3387131 0.90 SMYD2 (0.36) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL608493 0.74
SCHEMBL31298376 0.73 SMYD2 (0.38) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL261247 0.73 SMYD2 (0.34) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL10121548 0.73 SMYD2 (0.43) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL3389546 0.72 MEN1 (0.37)
SCHEMBL31298390 0.72 SMYD2 (0.41) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL610131 0.71
SCHEMBL261612 0.71
SCHEMBL607982 0.71 SMYD2 (0.39) SMYD2CYP3A4HTTSMN1; SMN2

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 SMYD2 4026/4885CYP3A4 862/4885HTT 598/4885

“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.