SCHEMBL2302865

SCHEMBL2302865

O=C1COc2ccc(CCN3CCN(c4ccc5c(c4)OCCO5)CC3)cc2N1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 15/20 0.67
SLC6A4 P31645 13/20 0.67
SLC6A2 P23975 1/20 0.67
SLC6A3 Q01959 1/20 0.67
DRD2 P14416 7/20 0.61
DRD4 P21917 5/20 0.61
DRD3 P35462 3/20 0.61
HTR1D P28221 12/20 0.61
HTR1B P28222 12/20 0.61
HTR2A P28223 3/20 0.61
HTR2C P28335 1/20 0.58
HTR2B P41595 1/20 0.58
KCNH2 Q12809 1/20 0.58

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
SCHEMBL2302035 0.96 HTR1A (0.65) HTR1ASLC6A4SLC6A2SLC6A3DRD2
SCHEMBL531878 0.84 HTR1A (0.65) HTR1ASLC6A4SLC6A2SLC6A3DRD2
SCHEMBL2303131 0.84 HTR1A (0.73) HTR1ASLC6A4SLC6A2SLC6A3DRD2
Hydrochloric Acid SCHEMBL4177860 0.83 HTR1A (0.71) HTR1ASLC6A4DRD2HTR1DHTR1B
SCHEMBL6525279 0.82 HTR1A (0.54) HTR1ASLC6A4SLC6A2SLC6A3DRD2
SCHEMBL12346145 0.82 HTR1A (0.67) HTR1ASLC6A4SLC6A2SLC6A3DRD2
SCHEMBL13905867 0.81 HTR1A (0.67) HTR1ASLC6A4SLC6A2SLC6A3DRD2
SCHEMBL2304001 0.81 HTR1A (0.65) HTR1ASLC6A4SLC6A2SLC6A3DRD2
SCHEMBL2303114 0.81 HTR1A (0.60) HTR1ASLC6A4SLC6A2SLC6A3DRD2
SCHEMBL2302644 0.81 HTR1A (0.68) HTR1ASLC6A4SLC6A2SLC6A3DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4741842-B2 2011-08-10 JP claimed
US-20060264429-A1 Benzoxazinone derivatives, preparation thereof and uses in the treatment of cns and other disorders GLAXO GROUP LIMITED (GB) 2006-11-23 US claimed
EP-1562917-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED (GB) 2005-08-17 EP claimed
WO-2004046124-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED (GB) 2004-06-03 WO claimed
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED 2009-03-19 US disclosed
US-20060264429-A1 Benzoxazinone derivatives, preparation thereof and uses in the treatment of cns and other disorders GLAXO GROUP LIMITED (GB) 2006-11-23 US disclosed
EP-1562917-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED (GB) 2005-08-17 EP disclosed
WO-2004046124-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED (GB) 2004-06-03 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 (2 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-20060264429-A1 Benzoxazinone derivatives, preparation thereof and uses in the treatment of cns and other disorders XDH, CYP4X1, PDHX HTR1A 47/4885SLC6A4 189/4885SLC6A2 267/4885
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS XDH, CYP4X1, PDHX HTR1A 476/4885SLC6A4 416/4885SLC6A2 434/4885

“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.