SCHEMBL4483470

SCHEMBL4483470

COc1cc2c(c(N3CCN(C(=O)OC(C)(C)C)CC3)c1)OCCN2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
ABCB1 P08183 2/20 0.41
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
GPR119 Q8TDV5 3/20 0.39
USP2 O75604 1/20 0.39
HTR6 P50406 2/20 0.38
HTT P42858 1/20 0.38
SMARCA2 P51531 1/20 0.37
SMARCA4 P51532 1/20 0.37
PBRM1 Q86U86 1/20 0.37
BACE1 P56817 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
STS P08842 1/20 0.36

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
SCHEMBL4481261 0.87 MAPK1 (0.41) ALDH1A1MAPK1SMN1; SMN2LMNAMAPT
SCHEMBL4471680 0.86 MAPK1 (0.41) ALDH1A1MAPK1SMN1; SMN2LMNAMAPT
SCHEMBL4467448 0.86 MEN1 (0.41) ALDH1A1MAPK1SMN1; SMN2LMNAMAPT
SCHEMBL4478376 0.86 MAPK1 (0.41) ALDH1A1MAPK1SMN1; SMN2LMNAMAPT
SCHEMBL7821960 0.82 ALDH1A1 (0.44) ALDH1A1ABCB1SMN1; SMN2LMNAMAPT
SCHEMBL4479719 0.81 MAPK1 (0.50) ALDH1A1MAPK1SMN1; SMN2LMNAMAPT
SCHEMBL30659464 0.81 MAPK1 (0.50) ALDH1A1MAPK1SMN1; SMN2LMNAMAPT
SCHEMBL5727630 0.74 MAPT (0.49) ALDH1A1MAPK1SMN1; SMN2LMNAMAPT
SCHEMBL12110031 0.72 MAPK1 (0.42) MAPK1SMN1; SMN2MAPTGPR119USP2
SCHEMBL1294281 0.72 ESR2 (0.43) MAPK1SMN1; SMN2MAPTGPR119USP2

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 ALDH1A1 376/4885ABCB1 50/4885MAPK1 2055/4885
US-20050130962-A1 Benzoxazine derivatives and uses thereof F12, HAX1, CYP4X1 ALDH1A1 369/4885ABCB1 52/4885MAPK1 2324/4885
US-20030232825-A1 Benzoxazine derivatives and uses thereof CYP3A5, CYP4X1, XDH ALDH1A1 256/4885ABCB1 105/4885MAPK1 2378/4885
US-20130123251-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF F12, CYP4X1, CYP3A5 ALDH1A1 376/4885ABCB1 50/4885MAPK1 2055/4885

“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.