SCHEMBL4489616

SCHEMBL4489616

CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc3c2OCCN3S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.60
STS P08842 2/20 0.43
PIK3CA P42336 1/20 0.43
TGFBR1 P36897 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
SCHEMBL4496217 0.91 HTR6 (0.50) HTR6STSTGFBR1
SCHEMBL14950517 0.81 HTR6 (0.52) HTR6TGFBR1
SCHEMBL4478387 0.80 HTR6 (0.51) HTR6PIK3CATGFBR1
SCHEMBL4477249 0.80 MEN1 (0.42) STS
SCHEMBL4471231 0.79 HTR6 (0.92) HTR6
SCHEMBL4480312 0.78 BACE1 (0.44)
SCHEMBL4476410 0.78 ALDH1A1 (0.48) HTR6TGFBR1
SCHEMBL4495200 0.78 HTR6 (0.50) HTR6TGFBR1
SCHEMBL4174667 0.76 MEN1 (0.44) STS
SCHEMBL13892446 0.75 HTR6 (0.66) HTR6PIK3CATGFBR1

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 2321/4885STS 999/4885PIK3CA 3056/4885
US-20050130962-A1 Benzoxazine derivatives and uses thereof F12, HAX1, CYP4X1 HTR6 2220/4885STS 1100/4885PIK3CA 2961/4885
US-20030232825-A1 Benzoxazine derivatives and uses thereof CYP3A5, CYP4X1, XDH HTR6 1363/4885STS 415/4885PIK3CA 2736/4885
US-20130123251-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF F12, CYP4X1, CYP3A5 HTR6 2321/4885STS 999/4885PIK3CA 3056/4885

“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.