SCHEMBL1552471

SCHEMBL1552471

COc1ccccc1CC1CNCCO1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.67
SLC6A2 P23975 14/20 0.58
SLC6A4 P31645 7/20 0.56
SLC6A3 Q01959 4/20 0.56
HTR2A P28223 2/20 0.56
HTR2B P41595 2/20 0.56
ADRB2 P07550 1/20 0.56
HTR1A P08908 1/20 0.56
ADRA1A P35348 1/20 0.56
HRH1 P35367 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR3A P46098 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL1552400 1.00 ADRA2C (0.67) ADRA2CSLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL28253269 0.85 SLC6A2 (0.51) ADRA2CSLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL5184651 0.84 SLC6A2 (0.55) ADRA2CSLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL5185168 0.84 SLC6A2 (0.55) ADRA2CSLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL5358749 0.83 SLC6A2 (0.50) ADRA2CSLC6A2SLC6A4SLC6A3HTR2A
Hydrochloric Acid SCHEMBL3333935 0.83 SLC6A2 (0.54) ADRA2CSLC6A2SLC6A4SLC6A3HTR2A
Bromide SCHEMBL5183718 0.83 SLC6A2 (0.54) ADRA2CSLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL1552079 0.82 SLC6A2 (0.49) ADRA2CSLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL1552082 0.82 SLC6A2 (0.49) ADRA2CSLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL27891443 0.82 SLC6A2 (0.49) ADRA2CSLC6A2SLC6A4SLC6A3HTR2A

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 7 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
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 ADRA2C 16/4885SLC6A2 186/4885SLC6A4 89/4885

“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.