SCHEMBL1551817

SCHEMBL1551817

Brc1cccc(CC2CNCCO2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A2 P23975 6/20 0.41
SLC6A4 P31645 5/20 0.41
SLC6A3 Q01959 5/20 0.41
HTR2A P28223 2/20 0.41
HTR2B P41595 2/20 0.41
HTR1A P08908 2/20 0.41
ADRB2 P07550 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA2C P18825 1/20 0.41
EPHA2 P29317 1/20 0.40
HRH1 P35367 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR3A P46098 1/20 0.39
PARP1 P09874 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37

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
SCHEMBL1551814 1.00 DRD2 (0.41) DRD2DRD3SLC6A2SLC6A4SLC6A3
SCHEMBL28767272 0.85 FFAR1 (0.50)
SCHEMBL27537852 0.82 DRD2 (0.55) DRD2DRD3SLC6A2SLC6A4SLC6A3
SCHEMBL1552656 0.82 SLC6A2 (0.47) DRD2DRD3SLC6A2SLC6A4SLC6A3
SCHEMBL1551915 0.82 SLC6A2 (0.44) DRD2DRD3SLC6A2SLC6A4SLC6A3
SCHEMBL1552428 0.82 SLC6A2 (0.44) DRD2DRD3SLC6A2SLC6A4SLC6A3
SCHEMBL1552434 0.82 HTR2B (0.41) SLC6A2SLC6A4SLC6A3HTR2AHTR2B
SCHEMBL1552432 0.82 HTR2B (0.41) SLC6A2SLC6A4SLC6A3HTR2AHTR2B
SCHEMBL578547 0.81 HTR2A (0.41) SLC6A2SLC6A4SLC6A3HTR2AHTR2B
SCHEMBL21815350 0.81 HTR2A (0.41) SLC6A2SLC6A4SLC6A3HTR2AHTR2B

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 16 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
CN-100439340-C 3-cyanoquinolines, 3-cyano-1, 6-naphthyridines, and 3-cyano-1, 7-naphthyridines as protein kinase inhibitors WYETH CORP (US) 2008-12-03 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
CN-1419545-A 3-cyanoquinolines, 3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors WYETH CORP (US) 2003-05-21 CN 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 DRD2 70/4885DRD3 123/4885SLC6A2 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.