SCHEMBL1553074

SCHEMBL1553074

c1ccc(COc2ccc(C[C@@H]3CNCCO3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.50
SLC6A2 P23975 2/20 0.46
SLC6A3 Q01959 2/20 0.46
ADRB2 P07550 1/20 0.46
HTR1A P08908 1/20 0.46
HTR2A P28223 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46
HTR2B P41595 1/20 0.46
ADRA2C P18825 1/20 0.46
LMNA P02545 2/20 0.44
BCHE P06276 1/20 0.43
LTA4H P09960 1/20 0.43
CYP1A2 P05177 1/20 0.43
PTGS1 P23219 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTGS2 P35354 1/20 0.43
HIF1A Q16665 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL1553169 1.00 MAOB (0.50) MAOBSLC6A2SLC6A3ADRB2HTR1A
SCHEMBL1552999 0.86 SLC6A2 (0.50) SLC6A2SLC6A3ADRB2HTR1AHTR2A
SCHEMBL682819 0.86 SLC6A2 (0.50) SLC6A2SLC6A3ADRB2HTR1AHTR2A
SCHEMBL659743 0.86 SLC6A2 (0.50) SLC6A2SLC6A3ADRB2HTR1AHTR2A
SCHEMBL28767272 0.86 FFAR1 (0.50) MAOBMAOA
Hydrochloric Acid SCHEMBL4772964 0.84 SLC6A2 (0.49) SLC6A2SLC6A3ADRB2HTR1AHTR2A
Methane SCHEMBL27798790 0.84 SLC6A2 (0.49) SLC6A2SLC6A3ADRB2HTR1AHTR2A
SCHEMBL5183907 0.82 SLC6A4 (0.56) MAOBSLC6A2SLC6A3ADRB2HTR1A
Oxalic Acid SCHEMBL10846796 0.82 HTR2B (0.46) MAOBSLC6A2SLC6A3ADRB2HTR1A
SCHEMBL28596020 0.81 P4HTM (0.55) SLC6A3LMNASMN1; SMN2

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 disclosed
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
US-7323466-B2 Morpholine derivatives as 5HT2C receptor agonists for the treatment of obesity HOFFMAN-LA ROCHE INC. (US) 2008-01-29 US 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 MAOB 210/4885SLC6A2 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.