SCHEMBL4496217

SCHEMBL4496217

CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc3c2OCCN3S(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.50
GPR119 Q8TDV5 2/20 0.48
NR1H2 P55055 4/20 0.44
NR1H3 Q13133 3/20 0.43
TGFBR1 P36897 1/20 0.42
STS P08842 1/20 0.42

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
SCHEMBL4489616 0.91 HTR6 (0.60) HTR6TGFBR1STS
SCHEMBL14950517 0.82 HTR6 (0.52) HTR6GPR119TGFBR1
SCHEMBL4472262 0.81 HTR6 (0.73) HTR6
SCHEMBL4478387 0.81 HTR6 (0.51) HTR6GPR119NR1H2TGFBR1
SCHEMBL4495200 0.80 HTR6 (0.50) HTR6GPR119NR1H2TGFBR1
SCHEMBL4476410 0.78 ALDH1A1 (0.48) HTR6TGFBR1
SCHEMBL4477249 0.75 MEN1 (0.42) GPR119STS
SCHEMBL4477985 0.74 HTR6 (0.59) HTR6
SCHEMBL4174667 0.74 MEN1 (0.44) STS
SCHEMBL4473686 0.72 HTR6 (0.86) HTR6

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123251-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC (US) 2013-05-16 US disclosed
US-8377931-B2 Benzoxazine derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2013-02-19 US disclosed
US-20090325950-A1 Benzoxazine derivatives and uses thereof ROCHE PALO ALTO LLC 2009-12-31 US disclosed
CN-100429206-C Benzo 58743oxazine derivatives as 5-HT6 modulators and uses thereof HOFFMANN LA ROCHE (CH) 2008-10-29 CN disclosed
EP-1506179-B1 BENZOXAZINE DERIVATIVES AS 5-HT6 MODULATORS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2006-01-25 EP disclosed
CN-1653054-A Benzoxazine derivatives as 5-HT 6 modulators and uses thereof HOFFMANN LA ROCHE (CH) 2005-08-10 CN disclosed
US-20050130962-A1 Benzoxazine derivatives and uses thereof BERGER JACOB (US) 2005-06-16 US disclosed
US-6867204-B2 Benzoxazine derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2005-03-15 US disclosed
EP-1506179-A1 BENZOXAZINE DERIVATIVES AS 5-HT6 MODULATORS AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2005-02-16 EP disclosed
US-20030232825-A1 Benzoxazine derivatives and uses thereof ROCHE PALO ALTO LLC 2003-12-18 US disclosed
WO-2003095434-A1 BENZOXAZINE DERIVATIVES AS 5-HT6 MODULATORS AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2003-11-20 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 (4 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-20090325950-A1 Benzoxazine derivatives and uses thereof F12, CYP4X1, CYP3A5 HTR6 2321/4885GPR119 697/4885NR1H2 734/4885
US-20050130962-A1 Benzoxazine derivatives and uses thereof F12, HAX1, CYP4X1 HTR6 2220/4885GPR119 713/4885NR1H2 698/4885
US-20030232825-A1 Benzoxazine derivatives and uses thereof CYP3A5, CYP4X1, XDH HTR6 1363/4885GPR119 1482/4885NR1H2 447/4885
US-20130123251-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF F12, CYP4X1, CYP3A5 HTR6 2321/4885GPR119 697/4885NR1H2 734/4885

“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.