SCHEMBL1551832

SCHEMBL1551832

CCCCOc1ccc(C[C@@H]2CNCCO2)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.44
HTR2A P28223 4/20 0.44
SLC6A2 P23975 2/20 0.44
HTR2B P41595 2/20 0.44
SLC6A3 Q01959 2/20 0.44
ADRB2 P07550 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA2C P18825 1/20 0.41
PDE4A P27815 2/20 0.40
MAPK1 P28482 2/20 0.40
PDE4D Q08499 2/20 0.40
TNF P01375 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL1551837 1.00 SLC6A4 (0.44) SLC6A4HTR2ASLC6A2HTR2BSLC6A3
SCHEMBL1552048 0.94 SLC6A4 (0.44) SLC6A4HTR2ASLC6A2HTR2BSLC6A3
SCHEMBL1552015 0.94 SLC6A4 (0.44) SLC6A4HTR2ASLC6A2HTR2BSLC6A3
SCHEMBL1552450 0.90 SLC6A4 (0.55) SLC6A4HTR2ASLC6A2HTR2BSLC6A3
SCHEMBL1552449 0.90 SLC6A4 (0.55) SLC6A4HTR2ASLC6A2HTR2BSLC6A3
SCHEMBL1552008 0.89 SLC6A4 (0.51) SLC6A4HTR2ASLC6A2HTR2BSLC6A3
SCHEMBL1552103 0.89 SLC6A4 (0.51) SLC6A4HTR2ASLC6A2HTR2BSLC6A3
SCHEMBL1551849 0.84 ADRA2C (0.51) SLC6A4HTR2ASLC6A2HTR2BSLC6A3
SCHEMBL1551851 0.84 ADRA2C (0.51) SLC6A4HTR2ASLC6A2HTR2BSLC6A3
SCHEMBL1552182 0.84 ADRA2C (0.51) SLC6A4HTR2ASLC6A2HTR2BSLC6A3

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 14 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
CN-101107235-B Morpholines as 5HT2C agonists HOFFMANN LA ROCHE 2011-03-16 CN 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
CN-101107235-A Morpholines as 5HT2C agonists HOFFMANN LA ROCHE (CH) 2008-01-16 CN 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
CN-101107235-B Morpholines as 5HT2C agonists HOFFMANN LA ROCHE 2011-03-16 CN 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
CN-101107235-A Morpholines as 5HT2C agonists HOFFMANN LA ROCHE (CH) 2008-01-16 CN 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 89/4885HTR2A 4/4885SLC6A2 186/4885

“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.