SCHEMBL4674593

SCHEMBL4674593

CN1CCN(c2cccc3c2OCC(=O)N3Cc2ccccc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.74
KDM4E B2RXH2 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
HTR1A P08908 3/20 0.46
DRD2 P14416 2/20 0.46
POLB P06746 1/20 0.46
MC4R P32245 1/20 0.46
HTR2A P28223 1/20 0.45
MCHR1 Q99705 1/20 0.45
BRD4 O60885 2/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
SLC6A4 P31645 1/20 0.43
KCNH2 Q12809 1/20 0.43
DRD4 P21917 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL4675071 0.87 HTR6 (0.57) HTR6KDM4ETP53MAPTHPGD
SCHEMBL1136491 0.85 HTR6 (1.00) HTR6L3MBTL1HTR1ADRD2POLB
Hydrochloric Acid SCHEMBL4678621 0.84 HTR6 (0.98) HTR6L3MBTL1HTR1ADRD2POLB
SCHEMBL4681880 0.82 HTR6 (0.62) HTR6L3MBTL1KMT2A
SCHEMBL14309629 0.81 HTR6 (0.64) HTR6KDM4EMAPK1L3MBTL1POLB
SCHEMBL4679161 0.80 HTR6 (0.67) HTR6KDM4EL3MBTL1HTR1ADRD2
SCHEMBL4676101 0.79 HTR6 (0.65) HTR6KDM4EMAPTL3MBTL1POLB
SCHEMBL4674421 0.79 HTR6 (0.71) HTR6L3MBTL1HTR1ADRD2POLB
SCHEMBL2599677 0.78 HTR6 (0.64) HTR6KDM4EMAPTL3MBTL1POLB
SCHEMBL14302362 0.78 HTR6 (0.64) HTR6KDM4EMAPTL3MBTL1POLB

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
EP-1562918-B1 SUBSTITUTED BENZOXAZINONES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2008-01-16 EP claimed
US-7141562-B2 Substituted benzoxazinones and uses thereof ROCHE PALO ALTO LLC (US) 2006-11-28 US claimed
EP-1562918-A1 SUBSTITUTED BENZOXAZINONES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2005-08-17 EP claimed
WO-2004041792-A1 SUBSTITUTED BENZOXAZINONES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2004-05-21 WO claimed
US-20040092512-A1 Substituted benzoxazinones and uses thereof ROCHE PALO ALTO LLC 2004-05-13 US claimed
EP-1562918-B1 SUBSTITUTED BENZOXAZINONES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2008-01-16 EP disclosed
EP-1562918-B1 SUBSTITUTED BENZOXAZINONES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2008-01-16 EP disclosed
US-7141562-B2 Substituted benzoxazinones and uses thereof ROCHE PALO ALTO LLC (US) 2006-11-28 US disclosed
EP-1562918-A1 SUBSTITUTED BENZOXAZINONES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2005-08-17 EP disclosed
WO-2004041792-A1 SUBSTITUTED BENZOXAZINONES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2004-05-21 WO disclosed
US-20040092512-A1 Substituted benzoxazinones and uses thereof ROCHE PALO ALTO LLC 2004-05-13 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-20040092512-A1 Substituted benzoxazinones and uses thereof CYP4X1, CYP3A5, CYP2D6 HTR6 399/4885KDM4E 353/4885TP53 3745/4885

“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.