SCHEMBL1553210

SCHEMBL1553210

Cc1oc(-c2ccccc2)nc1COc1ccc(C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.43
PPARA Q07869 16/20 0.43
FFAR1 O14842 1/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
EPHA2 P29317 2/20 0.41
ERBB2 P04626 1/20 0.41
EPHB4 P54760 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
SCHEMBL1553213 1.00 PPARG (0.43) PPARGPPARAFFAR1TP53MAPT
SCHEMBL1553330 0.87 SMPD1 (0.42) PPARGPPARAFFAR1MAPTEPHA2
SCHEMBL1553384 0.87 SMPD1 (0.42) PPARGPPARAFFAR1MAPTEPHA2
SCHEMBL1552036 0.81 EPHA2 (0.46) MAPTEPHA2ERBB2EPHB4
SCHEMBL1552035 0.81 EPHA2 (0.46) MAPTEPHA2ERBB2EPHB4
SCHEMBL1552347 0.81 NPC1 (0.49) TP53MAPTEPHA2ERBB2EPHB4
SCHEMBL1552349 0.81 NPC1 (0.49) TP53MAPTEPHA2ERBB2EPHB4
SCHEMBL1552531 0.79 GPR119 (0.46) EPHA2ERBB2EPHB4
SCHEMBL1552527 0.79 GPR119 (0.46) EPHA2ERBB2EPHB4
SCHEMBL1553097 0.79 OPRD1 (0.45) EPHA2ERBB2EPHB4

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 7 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
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 PPARG 198/4885PPARA 361/4885FFAR1 37/4885

“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.