SCHEMBL4471680

SCHEMBL4471680

CC(C)(C)OC(=O)N1CCN(c2cc(F)cc3c2OCCN3)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GPR119 Q8TDV5 6/20 0.38
SMARCA2 P51531 1/20 0.37
SMARCA4 P51532 1/20 0.37
PBRM1 Q86U86 1/20 0.37
PDK2 Q15119 1/20 0.37
KDM4E B2RXH2 1/20 0.36
THRB P10828 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
KIT P10721 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 0.88 MAPK1 (0.41) MAPK1USP2SMN1; SMN2MAPTLMNA
SCHEMBL4478376 0.87 MAPK1 (0.41) MAPK1USP2SMN1; SMN2MAPTLMNA
SCHEMBL4467448 0.87 MEN1 (0.41) MAPK1USP2SMN1; SMN2MAPTLMNA
SCHEMBL4483470 0.86 ALDH1A1 (0.41) MAPK1USP2SMN1; SMN2MAPTLMNA
SCHEMBL30659464 0.82 MAPK1 (0.50) MAPK1USP2SMN1; SMN2MAPTLMNA
SCHEMBL4479719 0.82 MAPK1 (0.50) MAPK1USP2SMN1; SMN2MAPTLMNA
SCHEMBL4171901 0.82 USP2 (0.43) USP2SMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL5727630 0.75 MAPT (0.49) MAPK1SMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL12110031 0.73 MAPK1 (0.42) MAPK1USP2SMN1; SMN2MAPTGPR119
SCHEMBL1294281 0.73 ESR2 (0.43) MAPK1USP2SMN1; SMN2MAPTGPR119

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 MAPK1 2055/4885USP2 4159/4885SMN1; SMN2 2523/4885
US-20050130962-A1 Benzoxazine derivatives and uses thereof F12, HAX1, CYP4X1 MAPK1 2324/4885USP2 4130/4885SMN1; SMN2 2602/4885
US-20030232825-A1 Benzoxazine derivatives and uses thereof CYP3A5, CYP4X1, XDH MAPK1 2378/4885USP2 3986/4885SMN1; SMN2 3073/4885
US-20130123251-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF F12, CYP4X1, CYP3A5 MAPK1 2055/4885USP2 4159/4885SMN1; SMN2 2523/4885

“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.