SCHEMBL1552897

SCHEMBL1552897

COc1cc(F)c(C[C@@H](O)CCl)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.35
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 1/20 0.35
DPP4 P27487 4/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MITF O75030 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
KDM1A O60341 1/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
CHRM4 P08173 1/20 0.32

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
SCHEMBL1552901 1.00 HTR2A (0.35) HTR2ASLC6A4KCNH2DPP4MTNR1A
SCHEMBL1552439 0.88 TAAR1 (0.41) HTR2AMTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL1552435 0.88 TAAR1 (0.41) HTR2AMTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL1553006 0.88 TAAR1 (0.38) MTNR1AMTNR1BPPARGPPARDPPARA
SCHEMBL1553004 0.88 TAAR1 (0.38) MTNR1AMTNR1BPPARGPPARDPPARA
SCHEMBL343719 0.81 DPP4 (0.46) DPP4
SCHEMBL29362057 0.81 DPP4 (0.46) DPP4
SCHEMBL2355496 0.81 DPP4 (0.46) DPP4
SCHEMBL343718 0.81 DPP4 (0.46) DPP4
SCHEMBL2851477 0.73 PDE4A (0.50) HTR2ASLC6A4KCNH2DPP4MTNR1A

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 HTR2A 4/4885SLC6A4 89/4885KCNH2 775/4885

“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.