SCHEMBL1552525

SCHEMBL1552525

COCc1cccc(C[C@@H]2CNCCO2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.47
SLC6A4 P31645 6/20 0.44
SLC6A2 P23975 5/20 0.44
HTR2A P28223 4/20 0.44
HTR2B P41595 3/20 0.44
SLC6A3 Q01959 2/20 0.44
ADRB2 P07550 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA1A P35348 1/20 0.44
EED O75530 1/20 0.40
HRH1 P35367 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR3A P46098 1/20 0.39
CHEK1 O14757 2/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
EPHA2 P29317 2/20 0.35
HTR2C P28335 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
SCHEMBL1552526 1.00 ADRA2C (0.47) ADRA2CSLC6A4SLC6A2HTR2AHTR2B
SCHEMBL1552656 0.85 SLC6A2 (0.47) ADRA2CSLC6A4SLC6A2HTR2AHTR2B
SCHEMBL22567396 0.84 EED (0.59) ADRA2CSLC6A4SLC6A2HTR2AHTR2B
SCHEMBL1552073 0.82 CHRNB2 (0.43) ADRA2CSLC6A4SLC6A2HTR2AHTR2B
SCHEMBL1552077 0.82 CHRNB2 (0.43) ADRA2CSLC6A4SLC6A2HTR2AHTR2B
SCHEMBL1552428 0.82 SLC6A2 (0.44) ADRA2CSLC6A4SLC6A2HTR2AHTR2B
SCHEMBL1551915 0.82 SLC6A2 (0.44) ADRA2CSLC6A4SLC6A2HTR2AHTR2B
SCHEMBL27537852 0.82 DRD2 (0.55) ADRA2CSLC6A4SLC6A2HTR2AHTR2B
SCHEMBL1551814 0.79 DRD2 (0.41) ADRA2CSLC6A4SLC6A2HTR2AHTR2B
SCHEMBL1552434 0.79 HTR2B (0.41) ADRA2CSLC6A4SLC6A2HTR2AHTR2B

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 14 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
CN-101107235-B Morpholines as 5HT2C agonists HOFFMANN LA ROCHE 2011-03-16 CN 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
CN-101107235-A Morpholines as 5HT2C agonists HOFFMANN LA ROCHE (CH) 2008-01-16 CN 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
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 16/4885SLC6A4 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.