SCHEMBL4480756

SCHEMBL4480756

COc1cc(N2CCNCC2)c2c(c1)N(S(=O)(=O)c1ccc3c(c1)OCCO3)CCO2

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.75
PKM P14618 3/20 0.52
PKLR P30613 3/20 0.52
KDM4E B2RXH2 1/20 0.52
NPC1 O15118 1/20 0.51
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL4488601 0.87 HTR6 (0.74) HTR6PKMPKLRMEN1KMT2A
SCHEMBL4479480 0.86 HTR6 (1.00) HTR6NPC1
SCHEMBL4480427 0.83 HTR6 (0.80) HTR6
SCHEMBL4491660 0.81 HTR6 (0.76) HTR6NPC1
SCHEMBL4472230 0.79 HTR6 (0.80) HTR6
SCHEMBL4471387 0.78 HTR6 (0.80) HTR6
SCHEMBL4481364 0.78 HTR6 (1.00) HTR6
SCHEMBL4491869 0.77 HTR6 (0.78) HTR6
SCHEMBL4487649 0.77 HTR6 (0.73) HTR6
SCHEMBL4479908 0.75 HTR6 (0.74) 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377931-B2 Benzoxazine derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2013-02-19 US claimed
US-20090325950-A1 Benzoxazine derivatives and uses thereof ROCHE PALO ALTO LLC 2009-12-31 US claimed
US-20130123251-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC (US) 2013-05-16 US disclosed
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-8377931-B2 Benzoxazine derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2013-02-19 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
US-20090325950-A1 Benzoxazine derivatives and uses thereof ROCHE PALO ALTO LLC 2009-12-31 US disclosed
US-20090325950-A1 Benzoxazine derivatives and uses thereof ROCHE PALO ALTO LLC 2009-12-31 US disclosed
EP-1506179-B1 BENZOXAZINE DERIVATIVES AS 5-HT6 MODULATORS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2006-01-25 EP 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 2321/4885PKM 1192/4885PKLR 1594/4885
US-20050130962-A1 Benzoxazine derivatives and uses thereof F12, HAX1, CYP4X1 HTR6 2220/4885PKM 1229/4885PKLR 1525/4885
US-20030232825-A1 Benzoxazine derivatives and uses thereof CYP3A5, CYP4X1, XDH HTR6 1363/4885PKM 1275/4885PKLR 1539/4885
US-20130123251-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF F12, CYP4X1, CYP3A5 HTR6 2321/4885PKM 1192/4885PKLR 1594/4885

“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.