SCHEMBL4173618

SCHEMBL4173618

CN1C(=O)COc2ccc(CCCl)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.51
DRD2 P14416 1/20 0.51
HTR2A P28223 1/20 0.51
HTR1D P28221 4/20 0.49
HTR1B P28222 4/20 0.49
SLC6A4 P31645 2/20 0.49
KCNH2 Q12809 2/20 0.49
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
HTR2C P28335 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.40
KMO O15229 1/20 0.40
SLC5A1 P13866 2/20 0.40
SLC5A2 P31639 2/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
GRM4 Q14833 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
USP30 Q70CQ3 1/20 0.39

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
SCHEMBL9197069 0.88 PDE3B (0.48) HTR1ADRD2HTR2AHTR1DHTR1B
SCHEMBL8249215 0.87 HTR1A (0.52) HTR1ADRD2HTR2AHTR1DHTR1B
SCHEMBL19016817 0.84 HTR1A (0.50) HTR1ADRD2HTR2AHTR1DHTR1B
SCHEMBL764050 0.84 PARP1 (0.50) HTR1ADRD2HTR2AHTR1DHTR1B
SCHEMBL4176340 0.83 HTR1A (0.50) HTR1AHTR1DHTR1BSLC6A4L3MBTL1
SCHEMBL8201340 0.82 PDE3B (0.48) HTR1ADRD2HTR2AHTR1DHTR1B
SCHEMBL554626 0.82 PDE3B (0.48) HTR1ADRD2HTR2AHTR1DHTR1B
SCHEMBL9594271 0.82 HTR1A (0.48) HTR1ADRD2HTR2AHTR1DHTR1B
SCHEMBL8199914 0.82 PDE3B (0.45) HTR1ADRD2HTR2AHTR1DHTR1B
SCHEMBL10643228 0.80 KMO (0.50) HTR1ADRD2HTR2AHTR1DHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 47/4885DRD2 251/4885HTR2A 87/4885
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS XDH, CYP4X1, PDHX HTR1A 476/4885DRD2 574/4885HTR2A 463/4885

“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.