SCHEMBL1551841

SCHEMBL1551841

FC(F)(F)c1cccc(CC2CNCCO2)c1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.58
▸ GRIN1 Q05586 1/20 0.50
▸ GRIN2B Q13224 1/20 0.50
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ SLC6A2 P23975 2/20 0.43
▸ SLC6A4 P31645 1/20 0.42
▸ TACR1 P25103 3/20 0.41

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
SCHEMBL1552540 1.00 HTR1A (0.58) HTR1AGRIN1GRIN2BHDAC1HDAC8
SCHEMBL1551857 1.00 HTR1A (0.58) HTR1AGRIN1GRIN2BHDAC1HDAC8
SCHEMBL1552656 0.82 SLC6A2 (0.47) HTR1ASLC6A2SLC6A4
SCHEMBL31749404 0.81 HTR1A (0.42) HTR1AGRIN1GRIN2BSLC6A2SLC6A4
SCHEMBL30450901 0.79 TAAR1 (0.50) —
SCHEMBL1552428 0.79 SLC6A2 (0.44) HTR1ASLC6A2SLC6A4
SCHEMBL1552434 0.79 HTR2B (0.41) HTR1ASLC6A2SLC6A4
SCHEMBL1552432 0.79 HTR2B (0.41) HTR1ASLC6A2SLC6A4
SCHEMBL1551817 0.79 DRD2 (0.41) HTR1ASLC6A2SLC6A4
SCHEMBL1551814 0.79 DRD2 (0.41) HTR1ASLC6A2SLC6A4

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 16 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
US-20130005710-A1 AMINOPYRIDINE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-03 — — US disclosed
EP-2502909-A1 AMINOPYRIDINE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2012-09-26 — — EP disclosed
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 (2 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-20130005710-A1 AMINOPYRIDINE DERIVATIVE DCX, NR0B1, NR4A1 HTR1A 249/4885GRIN1 44/4885GRIN2B 85/4885
US-20060178510-A1 New morpholine derivatives as 5HT2C receptor agonists for the treatment of obesity HTR2C, HTR1A, HTR1B HTR1A 2/4885GRIN1 319/4885GRIN2B 213/4885

“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.

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