SCHEMBL1552824

SCHEMBL1552824

O=S(=O)(OC[C@@H]1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CCO1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 17/20 0.38
HRH3 Q9Y5N1 1/20 0.37
PDK1 Q15118 1/20 0.36
ACLY P53396 1/20 0.35
DRD2 P14416 2/20 0.34
DRD3 P35462 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
SCHEMBL1552412 1.00 DRD4 (0.38) DRD4HRH3PDK1ACLYDRD2
SCHEMBL8433286 0.82 MEN1 (0.37) DRD4HRH3PDK1
SCHEMBL9786925 0.82 MEN1 (0.37) DRD4HRH3PDK1
SCHEMBL9786828 0.82 MEN1 (0.37) DRD4HRH3PDK1
SCHEMBL9668740 0.77 ACLY (0.37) DRD4HRH3PDK1ACLYDRD2
SCHEMBL8480377 0.75 ADORA2A (0.43) DRD4HRH3PDK1DRD2DRD3
SCHEMBL8434603 0.75 ADORA2A (0.43) DRD4HRH3PDK1DRD2DRD3
SCHEMBL27828848 0.75 ADORA2A (0.43) DRD4HRH3PDK1DRD2DRD3
SCHEMBL14289456 0.74 HRH3 (0.39) DRD4HRH3PDK1
SCHEMBL20334570 0.73 HRH3 (0.37) DRD4HRH3PDK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1844026-B1 MORPHOLINES AS 5HT2C AGONISTS HOFFMANN LA ROCHE (CH) 2011-04-27 EP disclosed
US-7323466-B2 Morpholine derivatives as 5HT2C receptor agonists for the treatment of obesity HOFFMAN-LA ROCHE INC. (US) 2008-01-29 US disclosed
EP-1844026-A2 MORPHOLINES AS 5HT2C AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP disclosed
US-20060178510-A1 New morpholine derivatives as 5HT2C receptor agonists for the treatment of obesity HOFFMANN-LA ROCHE INC. 2006-08-10 US disclosed
WO-2006077025-A2 MORPHOLINES AS 5HT2C AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-27 WO 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-20060178510-A1 New morpholine derivatives as 5HT2C receptor agonists for the treatment of obesity HTR2C, HTR1A, HTR1B DRD4 115/4885HRH3 299/4885PDK1 2815/4885

“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.