SCHEMBL1552706

SCHEMBL1552706

COc1cc(OC)c(C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 4/20 0.49
ERBB2 P04626 1/20 0.43
EPHB4 P54760 1/20 0.43
PDE4B Q07343 3/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 2/20 0.37
GLA P06280 1/20 0.37
USP30 Q70CQ3 1/20 0.37
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SUV39H2 Q9H5I1 1/20 0.37
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
MEN1 O00255 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 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
SCHEMBL1552680 0.85 EPHA2 (0.50) EPHA2ERBB2EPHB4PDE4BALDH1A1
SCHEMBL1552682 0.85 EPHA2 (0.50) EPHA2ERBB2EPHB4PDE4BALDH1A1
SCHEMBL1551955 0.84 EPHA2 (0.47) EPHA2ERBB2EPHB4PDE4BALDH1A1
SCHEMBL1551929 0.82 EPHA2 (0.46) EPHA2ERBB2EPHB4PDE4BKDM4E
SCHEMBL1553012 0.79 EPHA2 (0.44) EPHA2ERBB2EPHB4PDE4BKDM4E
SCHEMBL1551985 0.78 EPHA2 (0.47) EPHA2ERBB2EPHB4PDE4BKMT2A
SCHEMBL1551911 0.78 EPHA2 (0.47) EPHA2ERBB2EPHB4KDM4EKMT2A
SCHEMBL27695130 0.78 EPHA2 (0.47) EPHA2ERBB2EPHB4KDM4EKMT2A
SCHEMBL1551905 0.78 EPHA2 (0.46) EPHA2ERBB2EPHB4PDE4BUSP30
SCHEMBL31076359 0.78 EPHA2 (0.51) EPHA2ERBB2EPHB4PDE4BNR1H4

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 3 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
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-20060178510-A1 New morpholine derivatives as 5HT2C receptor agonists for the treatment of obesity HOFFMANN-LA ROCHE INC. 2006-08-10 US 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 3530/4885ERBB2 1770/4885EPHB4 2941/4885

“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.