SCHEMBL1552613

SCHEMBL1552613

O[C@@H](CCl)Cc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 6/20 0.42
DUSP3 P51452 6/20 0.42
EPHX1 P07099 1/20 0.40
NR3C2 P08235 1/20 0.39
AR P10275 1/20 0.38
P2RX7 Q99572 3/20 0.38
KIF11 P52732 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
USP28 Q96RU2 1/20 0.37
USP25 Q9UHP3 1/20 0.37
SLC6A4 P31645 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
VNN1 O95497 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
SCHEMBL1552615 1.00 PTPN7 (0.42) PTPN7DUSP3EPHX1NR3C2AR
SCHEMBL1552985 0.78 PIK3CA (0.41) CYP3A4CYP2D6NPSR1SLC6A4
SCHEMBL29560777 0.77 PTPN7 (0.45) PTPN7DUSP3EPHX1NR3C2AR
SCHEMBL1717487 0.77 PTPN7 (0.45) PTPN7DUSP3EPHX1NR3C2AR
SCHEMBL4779923 0.76 P2RX7 (0.44) PTPN7DUSP3EPHX1NR3C2AR
SCHEMBL5018902 0.76 AR (0.44) PTPN7DUSP3EPHX1NR3C2AR
SCHEMBL4436198 0.75 EPHX1 (0.46) PTPN7DUSP3EPHX1NR3C2AR
SCHEMBL10299813 0.73 KIF11 (0.58) PTPN7DUSP3EPHX1NR3C2AR
SCHEMBL29875866 0.73 KIF11 (0.58) PTPN7DUSP3EPHX1NR3C2AR
SCHEMBL93061 0.73 KIF11 (0.58) PTPN7DUSP3EPHX1NR3C2AR

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
US-7323466-B2 Morpholine derivatives as 5HT2C receptor agonists for the treatment of obesity HOFFMAN-LA ROCHE INC. (US) 2008-01-29 US 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
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 PTPN7 2493/4885DUSP3 4805/4885EPHX1 1883/4885

“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.