SCHEMBL4474016

SCHEMBL4474016

Cc1cc(Br)c2c(c1)N(C(=O)OCc1ccccc1)CCO2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 2/20 0.43
GRM5 P41594 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
NAAA Q02083 3/20 0.40
P2RX4 Q99571 3/20 0.39
P2RX1 P51575 1/20 0.39
P2RX3 P56373 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
FAAH O00519 1/20 0.39
GFER P55789 1/20 0.39
HTR2C P28335 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL4473716 0.88 NPC1 (0.47) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL4486123 0.87 NPC1 (0.48) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL4488670 0.87 NPC1 (0.48) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL4491829 0.86 NPC1 (0.46) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL4482242 0.84 NPC1 (0.55) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL30659321 0.84 NPC1 (0.55) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL4482859 0.80 BACE1 (0.44) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL25734267 0.77 NPC1 (0.49) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL31542297 0.76 NPC1 (0.51) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL16193419 0.75 RAB9A (0.61) NPC1RAB9AL3MBTL1MEN1KMT2A

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 15 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-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 NPC1 925/4885RAB9A 921/4885L3MBTL1 3783/4885
US-20050130962-A1 Benzoxazine derivatives and uses thereof F12, HAX1, CYP4X1 NPC1 1016/4885RAB9A 712/4885L3MBTL1 3573/4885
US-20030232825-A1 Benzoxazine derivatives and uses thereof CYP3A5, CYP4X1, XDH NPC1 1347/4885RAB9A 1198/4885L3MBTL1 4670/4885
US-20130123251-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF F12, CYP4X1, CYP3A5 NPC1 925/4885RAB9A 921/4885L3MBTL1 3783/4885

“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.