SCHEMBL4477843

SCHEMBL4477843

COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)c2c(c1)N(C(=O)OCc1ccccc1)CCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.45
BACE1 P56817 1/20 0.43
TLR9 Q9NR96 4/20 0.43
TLR7 Q9NYK1 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTR6 P50406 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
ACHE P22303 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
YAP1 P46937 1/20 0.40
ABCB1 P08183 2/20 0.40
HTT P42858 1/20 0.39
USP30 Q70CQ3 1/20 0.39

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
SCHEMBL4482859 0.91 BACE1 (0.44) SLC2A1BACE1TLR9TLR7MEN1
SCHEMBL4493754 0.90 BACE1 (0.44) SLC2A1BACE1TLR9TLR7MEN1
SCHEMBL4492788 0.90 BACE1 (0.44) SLC2A1BACE1TLR9TLR7MEN1
SCHEMBL4480312 0.90 BACE1 (0.44) SLC2A1BACE1TLR9TLR7MEN1
SCHEMBL4471300 0.88 BACE1 (0.50) BACE1TLR9TLR7MEN1KMT2A
SCHEMBL30659386 0.88 BACE1 (0.50) BACE1TLR9TLR7MEN1KMT2A
SCHEMBL4473716 0.82 NPC1 (0.47) MEN1KMT2ANPSR1HTR6NPC1
SCHEMBL5727759 0.81 TMEM97 (0.46) BACE1MEN1KMT2ANPSR1LMNA
SCHEMBL1842426 0.76 MEN1 (0.61) MEN1KMT2ANPSR1NPC1RAB9A
SCHEMBL7821960 0.75 ALDH1A1 (0.44) BACE1TLR9SMN1; SMN2LMNAMAPT

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 9 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
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 SLC2A1 1626/4885BACE1 1023/4885TLR9 777/4885
US-20050130962-A1 Benzoxazine derivatives and uses thereof F12, HAX1, CYP4X1 SLC2A1 1353/4885BACE1 1246/4885TLR9 475/4885
US-20030232825-A1 Benzoxazine derivatives and uses thereof CYP3A5, CYP4X1, XDH SLC2A1 855/4885BACE1 1325/4885TLR9 1550/4885
US-20130123251-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF F12, CYP4X1, CYP3A5 SLC2A1 1626/4885BACE1 1023/4885TLR9 777/4885

“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.