SCHEMBL1552349

SCHEMBL1552349

CC(C)(C)OC(=O)N1CCOC(Cc2ccc(OCc3nc4ccccc4s3)c(Cl)c2)C1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
EPHX2 P34913 7/20 0.44
ALOX5 P09917 6/20 0.44
EPHA2 P29317 4/20 0.43
ERBB2 P04626 1/20 0.43
EPHB4 P54760 1/20 0.43
TP53 P04637 3/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
ALOX5AP P20292 2/20 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
SCHEMBL1552347 1.00 NPC1 (0.49) NPC1RAB9AALDH1A1TSHRNPSR1
SCHEMBL1552035 0.83 EPHA2 (0.46) ALOX5EPHA2ERBB2EPHB4MAPT
SCHEMBL1552036 0.83 EPHA2 (0.46) ALOX5EPHA2ERBB2EPHB4MAPT
SCHEMBL1552531 0.81 GPR119 (0.46) EPHA2ERBB2EPHB4POLBALOX5AP
SCHEMBL1552527 0.81 GPR119 (0.46) EPHA2ERBB2EPHB4POLBALOX5AP
SCHEMBL1553213 0.81 PPARG (0.43) EPHA2ERBB2EPHB4TP53MAPT
SCHEMBL1553210 0.81 PPARG (0.43) EPHA2ERBB2EPHB4TP53MAPT
SCHEMBL1553330 0.80 SMPD1 (0.42) NPC1RAB9ANPSR1EPHA2ERBB2
SCHEMBL1553384 0.80 SMPD1 (0.42) NPC1RAB9ANPSR1EPHA2ERBB2
SCHEMBL31076359 0.79 EPHA2 (0.51) EPHA2ERBB2EPHB4

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 NPC1 1094/4885RAB9A 2441/4885ALDH1A1 541/4885

“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.