SCHEMBL1552445

SCHEMBL1552445

COc1ccc(C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 4/20 0.45
PDE4B Q07343 3/20 0.43
ERBB2 P04626 1/20 0.43
EPHB4 P54760 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
EPHX2 P34913 1/20 0.41
S1PR1 P21453 1/20 0.40
RIPK1 Q13546 2/20 0.40
DRD4 P21917 1/20 0.39
ALK Q9UM73 2/20 0.39
PDE4A P27815 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
CYP19A1 P11511 1/20 0.38
LRRK2 Q5S007 1/20 0.38
STS P08842 1/20 0.38

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
SCHEMBL1552912 0.91 RXRA (0.41) EPHA2PDE4BERBB2EPHB4NR1H4
SCHEMBL14289468 0.89 P2RX3 (0.40) EPHA2ERBB2EPHB4NR1H4EPHX2
SCHEMBL1552792 0.88 PREP (0.47) EPHA2ERBB2EPHB4NR1H4EPHX2
SCHEMBL1552790 0.88 PREP (0.47) EPHA2ERBB2EPHB4NR1H4EPHX2
SCHEMBL1551985 0.88 EPHA2 (0.47) EPHA2PDE4BERBB2EPHB4NR1H4
SCHEMBL31076359 0.87 EPHA2 (0.51) EPHA2PDE4BERBB2EPHB4NR1H4
SCHEMBL1551943 0.86 EPHA2 (0.46) EPHA2PDE4BERBB2EPHB4NR1H4
SCHEMBL1552605 0.86 EPHA2 (0.46) EPHA2PDE4BERBB2EPHB4NR1H4
SCHEMBL1552680 0.86 EPHA2 (0.50) EPHA2PDE4BERBB2EPHB4NR1H4
SCHEMBL1552682 0.86 EPHA2 (0.50) EPHA2PDE4BERBB2EPHB4NR1H4

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 5 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
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 3530/4885PDE4B 514/4885ERBB2 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.