SCHEMBL2304302

SCHEMBL2304302

Cc1ccc2c(C3=CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.68
HTR1A P08908 18/20 0.68
HTR1B P28222 17/20 0.68
SLC6A4 P31645 13/20 0.68
KCNH2 Q12809 2/20 0.68
DRD2 P14416 2/20 0.68
HTR2A P28223 2/20 0.68
HTR2B P41595 2/20 0.68
HTR2C P28335 1/20 0.68
ADRB1 P08588 1/20 0.54
HTR7 P34969 1/20 0.54
DRD3 P35462 1/20 0.54

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
Hydrochloric Acid SCHEMBL4173781 0.82 HTR1D (0.98) HTR1DHTR1AHTR1BSLC6A4KCNH2
SCHEMBL4167325 0.81 HTR1D (1.00) HTR1DHTR1AHTR1BSLC6A4KCNH2
Hydrochloric Acid SCHEMBL4176638 0.79 HTR1D (0.92) HTR1DHTR1AHTR1BSLC6A4KCNH2
SCHEMBL2300675 0.78 HTR1D (0.94) HTR1DHTR1AHTR1BSLC6A4KCNH2
Hydrochloric Acid SCHEMBL4179326 0.78 HTR1A (0.98) HTR1DHTR1AHTR1BSLC6A4KCNH2
SCHEMBL2304067 0.77 HTR1A (1.00) HTR1DHTR1AHTR1BSLC6A4KCNH2
Hydrochloric Acid SCHEMBL4186394 0.77 HTR1A (0.98) HTR1DHTR1AHTR1BSLC6A4KCNH2
Hydrochloric Acid SCHEMBL4186568 0.77 HTR1A (0.98) HTR1DHTR1AHTR1BSLC6A4KCNH2
SCHEMBL4172012 0.76 HTR1A (1.00) HTR1DHTR1AHTR1BSLC6A4KCNH2
SCHEMBL2122500 0.76 PARP1 (0.82) HTR1DHTR1AHTR1BSLC6A4DRD2

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 HTR1D 75/4885HTR1A 47/4885HTR1B 39/4885
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS XDH, CYP4X1, PDHX HTR1D 569/4885HTR1A 476/4885HTR1B 252/4885

“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.