SCHEMBL5483714

SCHEMBL5483714

CC(C)(C)OC(=O)N1CCN(c2cccc3c2OC(C)(C)CN3S(=O)(=O)c2ccccc2F)CC1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.69
GAA P10253 1/20 0.45
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
F13A1 P00488 1/20 0.38
TGM2 P21980 1/20 0.38
TGM1 P22735 1/20 0.38
PDK2 Q15119 1/20 0.38
MET P08581 1/20 0.37
BACE1 P56817 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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
SCHEMBL4473236 0.82 HTR6 (1.00) HTR6
SCHEMBL1180627 0.74 TGM2 (0.60) ALDH1A1SMN1; SMN2F13A1TGM2TGM1
SCHEMBL16111449 0.74 TP53 (0.61) GAAALDH1A1SMN1; SMN2TP53THRB
SCHEMBL5368726 0.73 MAPT (0.45) ALDH1A1SMN1; SMN2MAPTLMNAPDK2
SCHEMBL29057910 0.73 TP53 (0.45) ALDH1A1SMN1; SMN2TP53THRBMAPT
SCHEMBL21995916 0.72 TP53 (0.49) ALDH1A1SMN1; SMN2TP53THRBMAPT
SCHEMBL12957576 0.72 TP53 (0.51) ALDH1A1SMN1; SMN2TP53THRBMAPT
SCHEMBL21360411 0.71 SMARCA2 (0.47) GAAALDH1A1SMN1; SMN2TP53THRB
SCHEMBL4861741 0.70 CHRM2 (0.48) ALDH1A1SMN1; SMN2TP53THRBMAPT
SCHEMBL8253295 0.70 TP53 (0.48) ALDH1A1SMN1; SMN2TP53THRBMAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1694656-B1 BENZOXAZINE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2007-08-29 EP disclosed
EP-1694656-B1 BENZOXAZINE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2007-08-29 EP disclosed
US-7202241-B2 Benzoxazine derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2007-04-10 US disclosed
US-7202241-B2 Benzoxazine derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2007-04-10 US disclosed
EP-1694656-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF F.HOFFMANN-LA ROCHE AG (CH) 2006-08-30 EP disclosed
WO-2005058847-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO disclosed
US-20050124613-A1 Benzoxazine derivatives and uses thereof ROCHE PALO ALTO LLC 2005-06-09 US 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 (1 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-20050124613-A1 Benzoxazine derivatives and uses thereof XDH, CYP4X1, CYP2C9 HTR6 1872/4885GAA 1372/4885ALDH1A1 628/4885

“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.