SCHEMBL1552912

SCHEMBL1552912

CCOc1ccc(C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
EPHA2 P29317 4/20 0.41
ERBB2 P04626 1/20 0.39
EPHB4 P54760 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
P2RX3 P56373 3/20 0.38
P2RX2 Q9UBL9 3/20 0.38
BUB1 O43683 1/20 0.38
RIPK1 Q13546 2/20 0.38
DRD4 P21917 2/20 0.37
S1PR1 P21453 2/20 0.37
S1PR3 Q99500 1/20 0.37
S1PR5 Q9H228 1/20 0.37
PDE4B Q07343 1/20 0.36
EPHX2 P34913 1/20 0.36
PREP P48147 1/20 0.36
ENPP2 Q13822 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
SCHEMBL1552445 0.91 EPHA2 (0.45) EPHA2ERBB2EPHB4NR1H4RIPK1
SCHEMBL14289468 0.88 P2RX3 (0.40) EPHA2ERBB2EPHB4NR1H4P2RX3
SCHEMBL1552790 0.87 PREP (0.47) EPHA2ERBB2EPHB4NR1H4P2RX3
SCHEMBL1552792 0.87 PREP (0.47) EPHA2ERBB2EPHB4NR1H4P2RX3
SCHEMBL1552451 0.82 GPR119 (0.47) EPHA2ERBB2EPHB4BUB1
SCHEMBL27715095 0.82 GPR119 (0.47) EPHA2ERBB2EPHB4BUB1
SCHEMBL1551985 0.81 EPHA2 (0.47) EPHA2ERBB2EPHB4NR1H4PDE4B
SCHEMBL31076359 0.80 EPHA2 (0.51) EPHA2ERBB2EPHB4NR1H4DRD4
SCHEMBL1551943 0.79 EPHA2 (0.46) EPHA2ERBB2EPHB4NR1H4PDE4B
SCHEMBL1552605 0.79 EPHA2 (0.46) EPHA2ERBB2EPHB4NR1H4PDE4B

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 RXRA 848/4885RXRB 816/4885RXRG 796/4885

“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.