SCHEMBL1551829

SCHEMBL1551829

Oc1ccc(C[C@@H]2CNCCO2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.42
DRD3 P35462 1/20 0.42
HTR2A P28223 4/20 0.41
SLC6A4 P31645 4/20 0.41
SLC6A2 P23975 3/20 0.41
HTR2B P41595 2/20 0.41
SLC6A3 Q01959 2/20 0.41
ADRB2 P07550 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA2C P18825 1/20 0.41
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
HRH1 P35367 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
HTR3A P46098 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM1A O60341 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
SCHEMBL27828941 1.00 DRD2 (0.42) DRD2DRD3HTR2ASLC6A4SLC6A2
SCHEMBL27881798 0.87 SLC6A4 (0.41) HTR2ASLC6A4SLC6A2HTR2BSLC6A3
SCHEMBL27658505 0.84 DRD2 (0.51) DRD2DRD3HTR2ASLC6A4SLC6A2
SCHEMBL372608 0.83 SLC6A2 (0.41) HTR2ASLC6A4SLC6A2HTR2BSLC6A3
SCHEMBL21815350 0.83 HTR2A (0.41) HTR2ASLC6A4SLC6A2HTR2BSLC6A3
SCHEMBL16422478 0.83 SLC6A2 (0.45) HTR2ASLC6A4SLC6A2HTR2BSLC6A3
SCHEMBL14842113 0.83 SLC6A2 (0.41) HTR2ASLC6A4SLC6A2HTR2BSLC6A3
SCHEMBL9228782 0.83 HRH1 (0.45) HTR2ASLC6A4SLC6A2HTR2BSLC6A3
SCHEMBL578547 0.83 HTR2A (0.41) HTR2ASLC6A4SLC6A2HTR2BSLC6A3
SCHEMBL28288921 0.83 SLC6A2 (0.41) DRD2DRD3HTR2ASLC6A4SLC6A2

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 DRD2 70/4885DRD3 123/4885HTR2A 4/4885

“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.