SCHEMBL1552796

SCHEMBL1552796

CC(C)(C)OC(=O)N1CCO[C@H](Cc2ccc(OCc3ccccc3)c(Br)c2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 4/20 0.45
YAP1 P46937 3/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.40
ERBB2 P04626 1/20 0.40
EPHB4 P54760 1/20 0.40
TLR9 Q9NR96 3/20 0.39
TLR7 Q9NYK1 2/20 0.39
PARP1 P09874 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
S1PR4 O95977 1/20 0.39

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 0.87 EPHA2 (0.50) EPHA2ALDH1A1KMT2AERBB2EPHB4
SCHEMBL1552682 0.87 EPHA2 (0.50) EPHA2ALDH1A1KMT2AERBB2EPHB4
SCHEMBL1552040 0.85 YAP1 (0.51) YAP1LMNAJAK2JAK1GPR119
SCHEMBL27715096 0.85 YAP1 (0.51) YAP1LMNAJAK2JAK1GPR119
SCHEMBL27715065 0.84 YAP1 (0.50) YAP1LMNAJAK2JAK1GPR119
SCHEMBL4476703 0.83 JAK2 (0.49) EPHA2LMNASMN1; SMN2JAK2JAK1
SCHEMBL1553166 0.83 EPHA2 (0.44) EPHA2MAPTLMNASMN1; SMN2ERBB2
SCHEMBL1553137 0.83 EPHA2 (0.44) EPHA2MAPTLMNASMN1; SMN2ERBB2
SCHEMBL31076404 0.82 EPHA2 (0.45) EPHA2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1552614 0.82 EPHA2 (0.51) EPHA2MEN1KMT2ASMN1; SMN2ERBB2

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
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
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 3530/4885YAP1 4012/4885MAPT 3287/4885

“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.