SCHEMBL1552073

SCHEMBL1552073

c1cc(COCC2CC2)cc(C[C@@H]2CNCCO2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
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
HRH1 P35367 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR3A P46098 1/20 0.39
EED O75530 1/20 0.38
DRD2 P14416 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
SCHEMBL1552077 1.00 CHRNB2 (0.43) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL1552525 0.82 ADRA2C (0.47) HTR2ASLC6A4SLC6A2HTR2BSLC6A3
SCHEMBL1552526 0.82 ADRA2C (0.47) HTR2ASLC6A4SLC6A2HTR2BSLC6A3
SCHEMBL5198509 0.80 CHRNB2 (0.45) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL1553130 0.79 REN (0.46) HTR2ASLC6A4SLC6A2HTR2BSLC6A3
SCHEMBL1551993 0.79 REN (0.46) HTR2ASLC6A4SLC6A2HTR2BSLC6A3
SCHEMBL1552656 0.78 SLC6A2 (0.47) HTR2ASLC6A4SLC6A2HTR2BSLC6A3
SCHEMBL27537852 0.78 DRD2 (0.55) HTR2ASLC6A4SLC6A2HTR2BSLC6A3
SCHEMBL971427 0.76 SLC6A2 (0.55) HTR2ASLC6A4SLC6A2HTR2BSLC6A3
SCHEMBL971425 0.76 SLC6A2 (0.55) HTR2ASLC6A4SLC6A2HTR2BSLC6A3

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
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
US-20060178510-A1 New morpholine derivatives as 5HT2C receptor agonists for the treatment of obesity HOFFMANN-LA ROCHE INC. 2006-08-10 US 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
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 CHRNB2 469/4885CHRNA4 320/4885CHRM2 105/4885

“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.