SCHEMBL1551955

SCHEMBL1551955

COc1ccc(C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 4/20 0.47
STS P08842 1/20 0.46
ERBB2 P04626 1/20 0.45
EPHB4 P54760 1/20 0.45
EPHX2 P34913 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
PDE4B Q07343 1/20 0.43
P2RX3 P56373 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.41
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41
MMP9 P14780 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL1552953 0.84 ALDH1A1 (0.48) EPHA2STSERBB2EPHB4MAPT
SCHEMBL1552058 0.84 ALDH1A1 (0.48) EPHA2STSERBB2EPHB4MAPT
SCHEMBL1552706 0.84 EPHA2 (0.49) EPHA2ERBB2EPHB4KMT2AMEN1
SCHEMBL1551985 0.80 EPHA2 (0.47) EPHA2STSERBB2EPHB4KMT2A
SCHEMBL31076359 0.80 EPHA2 (0.51) EPHA2ERBB2EPHB4PDE4B
SCHEMBL1552680 0.79 EPHA2 (0.50) EPHA2STSERBB2EPHB4KMT2A
SCHEMBL1552605 0.79 EPHA2 (0.46) EPHA2STSERBB2EPHB4KMT2A
SCHEMBL1551943 0.79 EPHA2 (0.46) EPHA2STSERBB2EPHB4KMT2A
SCHEMBL1552682 0.79 EPHA2 (0.50) EPHA2STSERBB2EPHB4KMT2A
SCHEMBL1552522 0.78 EPHA2 (0.47) EPHA2STSERBB2EPHB4KMT2A

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 EPHA2 3530/4885STS 2428/4885ERBB2 1770/4885

“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.