SCHEMBL1552450

SCHEMBL1552450

CCOc1ccc(CC2CNCCO2)cc1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.55
SLC6A2 P23975 7/20 0.55
SLC6A3 Q01959 6/20 0.55
HTR2A P28223 5/20 0.55
HTR2B P41595 3/20 0.55
ADRB2 P07550 2/20 0.55
HTR1A P08908 1/20 0.55
ADRA1A P35348 1/20 0.55
ADRA2C P18825 1/20 0.43
HTR2C P28335 2/20 0.43
OPRK1 P41145 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MLNR O43193 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
KCNH2 Q12809 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL1552449 1.00 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3HTR2AHTR2B
SCHEMBL1552048 0.91 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3HTR2AHTR2B
SCHEMBL1552015 0.91 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3HTR2AHTR2B
SCHEMBL1551832 0.90 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3HTR2AHTR2B
SCHEMBL1551837 0.90 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3HTR2AHTR2B
SCHEMBL1551849 0.88 ADRA2C (0.51) SLC6A4SLC6A2SLC6A3HTR2AHTR2B
SCHEMBL1551851 0.88 ADRA2C (0.51) SLC6A4SLC6A2SLC6A3HTR2AHTR2B
SCHEMBL1552182 0.88 ADRA2C (0.51) SLC6A4SLC6A2SLC6A3HTR2AHTR2B
SCHEMBL1552008 0.87 SLC6A4 (0.51) SLC6A4SLC6A2SLC6A3HTR2AHTR2B
SCHEMBL1552103 0.87 SLC6A4 (0.51) SLC6A4SLC6A2SLC6A3HTR2AHTR2B

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 10 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 claimed
US-7323466-B2 Morpholine derivatives as 5HT2C receptor agonists for the treatment of obesity HOFFMAN-LA ROCHE INC. (US) 2008-01-29 US claimed
EP-1844026-A2 MORPHOLINES AS 5HT2C AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP claimed
US-20060178510-A1 New morpholine derivatives as 5HT2C receptor agonists for the treatment of obesity HOFFMANN-LA ROCHE INC. 2006-08-10 US claimed
WO-2006077025-A2 MORPHOLINES AS 5HT2C AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-27 WO claimed
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 SLC6A4 89/4885SLC6A2 186/4885SLC6A3 335/4885

“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.