SCHEMBL1553097

SCHEMBL1553097

CC(C)(C)OC(=O)N1CCO[C@H](Cc2ccc(OCc3nccn3Cc3ccccc3)c(Cl)c2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
EPHA2 P29317 5/20 0.42
ERBB2 P04626 2/20 0.42
EPHB4 P54760 2/20 0.42
BCHE P06276 1/20 0.38
HTR6 P50406 1/20 0.38
DRD4 P21917 1/20 0.37
BRD4 O60885 1/20 0.37
P2RX7 Q99572 1/20 0.36
S1PR1 P21453 2/20 0.36
S1PR5 Q9H228 2/20 0.36
KDR P35968 1/20 0.36
SCD O00767 1/20 0.36
SCD5 Q86SK9 1/20 0.36
PARP1 P09874 2/20 0.36
PARP2 Q9UGN5 2/20 0.36
ACHE P22303 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36

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
SCHEMBL1552035 0.84 EPHA2 (0.46) EPHA2ERBB2EPHB4DRD4
SCHEMBL1552036 0.84 EPHA2 (0.46) EPHA2ERBB2EPHB4DRD4
SCHEMBL1553384 0.80 SMPD1 (0.42) EPHA2ERBB2EPHB4S1PR1S1PR5
SCHEMBL1553330 0.80 SMPD1 (0.42) EPHA2ERBB2EPHB4S1PR1S1PR5
SCHEMBL31076359 0.79 EPHA2 (0.51) EPHA2ERBB2EPHB4DRD4
SCHEMBL1553213 0.79 PPARG (0.43) EPHA2ERBB2EPHB4
SCHEMBL1553210 0.79 PPARG (0.43) EPHA2ERBB2EPHB4
SCHEMBL1552796 0.79 EPHA2 (0.45) EPHA2ERBB2EPHB4S1PR1S1PR5
SCHEMBL1552349 0.79 NPC1 (0.49) EPHA2ERBB2EPHB4
SCHEMBL1552347 0.79 NPC1 (0.49) 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 OPRD1 30/4885OPRK1 42/4885EPHA2 3530/4885

“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.