SCHEMBL1553330

SCHEMBL1553330

CC(C)(C)OC(=O)N1CCO[C@H](Cc2ccc(OCc3noc(-c4ccccc4)n3)c(Cl)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
MAPT P10636 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
EPHA2 P29317 5/20 0.42
EPHB4 P54760 2/20 0.42
ERBB2 P04626 1/20 0.42
MAPK1 P28482 1/20 0.41
FFAR1 O14842 2/20 0.40
KDR P35968 1/20 0.40
USP30 Q70CQ3 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
S1PR1 P21453 2/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
KMT2A Q03164 1/20 0.38
MAP4K4 O95819 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
SCHEMBL1553384 1.00 SMPD1 (0.42) SMPD1L3MBTL1MAPTTDP1EPHA2
SCHEMBL1552767 0.92 TDP1 (0.44) SMPD1L3MBTL1MAPTTDP1EPHA2
SCHEMBL1552769 0.92 TDP1 (0.44) SMPD1L3MBTL1MAPTTDP1EPHA2
SCHEMBL1552574 0.91 MAPT (0.44) SMPD1L3MBTL1MAPTEPHA2EPHB4
SCHEMBL1552575 0.91 MAPT (0.44) SMPD1L3MBTL1MAPTEPHA2EPHB4
SCHEMBL1553210 0.87 PPARG (0.43) MAPTEPHA2EPHB4ERBB2FFAR1
SCHEMBL1553213 0.87 PPARG (0.43) MAPTEPHA2EPHB4ERBB2FFAR1
SCHEMBL1552035 0.83 EPHA2 (0.46) MAPTEPHA2EPHB4ERBB2
SCHEMBL1552036 0.83 EPHA2 (0.46) MAPTEPHA2EPHB4ERBB2
SCHEMBL1552347 0.80 NPC1 (0.49) MAPTEPHA2EPHB4ERBB2NPC1

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 SMPD1 1296/4885L3MBTL1 4429/4885MAPT 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.