SCHEMBL1552812

SCHEMBL1552812

CC(C)(C)c1ccc(CC2CNCCO2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.42
SLC6A4 P31645 4/20 0.42
SLC6A2 P23975 3/20 0.42
ADRA1A P35348 2/20 0.42
ADRA2C P18825 2/20 0.42
HTR2B P41595 2/20 0.42
SLC6A3 Q01959 2/20 0.42
HTR1A P08908 2/20 0.42
ADRB2 P07550 1/20 0.42
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA1D P25100 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
ADRA1B P35368 1/20 0.37
MLNR O43193 1/20 0.36
SIGMAR1 Q99720 3/20 0.35
KDM4E B2RXH2 1/20 0.35
HRH1 P35367 1/20 0.34
OPRD1 P41143 1/20 0.34

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
SCHEMBL27350173 0.85 MAPT (0.43) HTR2ASLC6A4SLC6A2ADRA1AADRA2C
SCHEMBL9228782 0.83 HRH1 (0.45) HTR2ASLC6A4SLC6A2ADRA1AADRA2C
SCHEMBL14842113 0.80 SLC6A2 (0.41) HTR2ASLC6A4SLC6A2ADRA1AADRA2C
SCHEMBL21815350 0.80 HTR2A (0.41) HTR2ASLC6A4SLC6A2ADRA1AADRA2C
SCHEMBL27881798 0.80 SLC6A4 (0.41) HTR2ASLC6A4SLC6A2ADRA1AADRA2C
SCHEMBL372608 0.80 SLC6A2 (0.41) HTR2ASLC6A4SLC6A2ADRA1AADRA2C
SCHEMBL1551829 0.80 DRD2 (0.42) HTR2ASLC6A4SLC6A2ADRA1AADRA2C
SCHEMBL578547 0.80 HTR2A (0.41) HTR2ASLC6A4SLC6A2ADRA1AADRA2C
SCHEMBL16422478 0.80 SLC6A2 (0.45) HTR2ASLC6A4SLC6A2ADRA1AADRA2C
SCHEMBL28288921 0.80 SLC6A2 (0.41) HTR2ASLC6A4SLC6A2ADRA1AADRA2C

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 10 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 claimed
US-7323466-B2 Morpholine derivatives as 5HT2C receptor agonists for the treatment of obesity HOFFMAN-LA ROCHE INC. (US) 2008-01-29 US claimed
EP-1844026-A2 MORPHOLINES AS 5HT2C AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP claimed
US-20060178510-A1 New morpholine derivatives as 5HT2C receptor agonists for the treatment of obesity HOFFMANN-LA ROCHE INC. 2006-08-10 US claimed
WO-2006077025-A2 MORPHOLINES AS 5HT2C AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-27 WO claimed
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 HTR2A 4/4885SLC6A4 89/4885SLC6A2 186/4885

“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.