SCHEMBL608678

SCHEMBL608678

Cc1ccc(Cl)c(C(=O)N2C[C@@H]3C[C@@H]3C[C@H]2CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 8/20 0.40
HCRTR2 O43614 8/20 0.40
SMYD2 Q9NRG4 1/20 0.30
RBP4 P02753 1/20 0.30

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
SCHEMBL610794 0.89 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL10121573 0.87 HCRTR2 (0.44) HCRTR1HCRTR2
SCHEMBL610605 0.86 HCRTR2 (0.44) HCRTR1HCRTR2
SCHEMBL3385662 0.86 HCRTR2 (0.55) HCRTR1HCRTR2
SCHEMBL10121567 0.85 HCRTR2 (0.45) HCRTR1HCRTR2
SCHEMBL607942 0.84 CNR2 (0.39) HCRTR1HCRTR2SMYD2
SCHEMBL608855 0.84 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL2795827 0.81 SMYD2 (0.36) SMYD2
SCHEMBL14486195 0.81 SMYD2 (0.36) SMYD2
SCHEMBL10121539 0.81 SMYD2 (0.38) SMYD2

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 HCRTR1 2/4885HCRTR2 1/4885SMYD2 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.