SCHEMBL4171796

SCHEMBL4171796

O=C1COc2ccc(CCCN3CCN(c4ccnc5[nH]ccc45)CC3)cc2N1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 19/20 0.62
HTR1D P28221 16/20 0.62
HTR1B P28222 15/20 0.62
DRD2 P14416 4/20 0.59
HTR2A P28223 4/20 0.59
SLC6A4 P31645 13/20 0.57
KCNH2 Q12809 2/20 0.55
HTR2C P28335 1/20 0.55
HTR2B P41595 1/20 0.55
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48

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
SCHEMBL4179832 0.95 HTR1A (0.63) HTR1AHTR1DHTR1BDRD2HTR2A
SCHEMBL4182224 0.83 HTR1A (0.59) HTR1AHTR1DHTR1BDRD2HTR2A
SCHEMBL4182140 0.80 HTR1A (0.72) HTR1AHTR1DHTR1BDRD2HTR2A
Hydrochloric Acid SCHEMBL4171851 0.79 HTR1A (0.71) HTR1AHTR1DHTR1BDRD2HTR2A
SCHEMBL4182150 0.79 HTR1A (0.75) HTR1AHTR1DHTR1BDRD2HTR2A
Hydrochloric Acid SCHEMBL4180926 0.78 HTR1A (0.73) HTR1AHTR1DHTR1BDRD2HTR2A
SCHEMBL2303687 0.78 HTR1A (0.53) HTR1AHTR1DHTR1BDRD2HTR2A
SCHEMBL2302815 0.77 HTR1A (0.61) HTR1AHTR1DHTR1BDRD2HTR2A
SCHEMBL4182255 0.77 HTR1A (0.68) HTR1AHTR1DHTR1BDRD2HTR2A
SCHEMBL14510673 0.77 HTR1A (0.62) HTR1AHTR1DHTR1BDRD2HTR2A

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 3 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
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

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