SCHEMBL1552840

SCHEMBL1552840

O[C@@H](CCl)Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.58
PPARA Q07869 3/20 0.58
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
PTGS1 P23219 1/20 0.56
SLC6A2 P23975 1/20 0.56
CYP2C19 P33261 1/20 0.56
PTGS2 P35354 1/20 0.56
SLC6A3 Q01959 1/20 0.56
HIF1A Q16665 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
LTA4H P09960 4/20 0.55
LAP3 P28838 1/20 0.55
FFAR1 O14842 1/20 0.54
FFAR4 Q5NUL3 1/20 0.54
PPARD Q03181 1/20 0.52
MAOB P27338 3/20 0.51
BCHE P06276 1/20 0.51
EPHX2 P34913 1/20 0.51
NR4A1 P22736 1/20 0.50

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
SCHEMBL1552843 1.00 PPARG (0.58) PPARGPPARALMNACYP1A2PTGS1
SCHEMBL7254114 0.85 PPARG (0.60) PPARGPPARALMNACYP1A2PTGS1
SCHEMBL7254106 0.85 PPARG (0.60) PPARGPPARALMNACYP1A2PTGS1
SCHEMBL7296695 0.85 RAB9A (0.59) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL7296684 0.85 RAB9A (0.59) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL25152953 0.84 MAOB (0.60) PPARGPPARALMNACYP1A2PTGS1
SCHEMBL29162424 0.84 MAOB (0.60) PPARGPPARALMNACYP1A2PTGS1
SCHEMBL10701955 0.83 LMNA (0.59) PPARGPPARALMNACYP1A2PTGS1
SCHEMBL10577323 0.82 TRPA1 (0.48) CYP1A2PTGS1SLC6A2SLC6A3MAOA
SCHEMBL2940745 0.82 TRPA1 (0.48) CYP1A2PTGS1SLC6A2SLC6A3MAOA

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 PPARG 198/4885PPARA 361/4885LMNA 1635/4885

“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.