SCHEMBL4172085

SCHEMBL4172085

O=C1COc2ccc(CCN3CCN(c4ccc5cc([N+](=O)[O-])ccc5n4)CC3)cc2N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 19/20 0.53
SLC6A4 P31645 14/20 0.53
HTR1D P28221 13/20 0.53
HTR1B P28222 13/20 0.53
DRD2 P14416 2/20 0.53
HTR2A P28223 2/20 0.53
HTR2C P28335 1/20 0.53
HTR2B P41595 1/20 0.53
KCNH2 Q12809 1/20 0.53
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
THPO P40225 1/20 0.49
HTR3A P46098 1/20 0.49
HTR3D Q70Z44 1/20 0.49

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
SCHEMBL4174687 0.86 HTR1A (0.61) HTR1ASLC6A4HTR1DHTR1BDRD2
SCHEMBL4189338 0.85 HTR1A (0.66) HTR1ASLC6A4HTR1DHTR1BDRD2
SCHEMBL6525277 0.82 HTR1A (0.62) HTR1ASLC6A4HTR1DHTR1BDRD2
SCHEMBL4172034 0.80 HTR1A (0.64) HTR1ASLC6A4HTR1DHTR1BDRD2
SCHEMBL12346145 0.73 HTR1A (0.67) HTR1ASLC6A4HTR1DHTR1BDRD2
SCHEMBL531878 0.73 HTR1A (0.65) HTR1ASLC6A4HTR1DHTR1BDRD2
SCHEMBL532984 0.72 HTR1A (0.63) HTR1ASLC6A4HTR1DHTR1BDRD2
SCHEMBL11807640 0.72 KCNJ1 (0.61) HTR1AKCNH2
SCHEMBL5911024 0.71 ALDH1A1 (0.67) HTR1ASLC6A4HTR3EHTR3BALDH1A1
SCHEMBL3777754 0.71 HTR1A (0.58) HTR1ASLC6A4HTR1DHTR1BDRD2

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
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 189/4885HTR1D 75/4885
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS XDH, CYP4X1, PDHX HTR1A 476/4885SLC6A4 416/4885HTR1D 569/4885

“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.