SCHEMBL4186385

SCHEMBL4186385

O=C1COc2ccc(CCN3CCN(c4cc(Cl)cc5[nH]ccc45)CC3)cc2N1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 19/20 0.71
HTR1D P28221 15/20 0.71
HTR1B P28222 15/20 0.71
SLC6A4 P31645 14/20 0.71
DRD2 P14416 4/20 0.59
HTR2A P28223 4/20 0.59
KCNH2 Q12809 2/20 0.56
HTR2C P28335 1/20 0.56
HTR2B P41595 1/20 0.56
DRD4 P21917 1/20 0.53
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 1/20 0.51

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
SCHEMBL4182150 0.87 HTR1A (0.75) HTR1AHTR1DHTR1BSLC6A4DRD2
Hydrochloric Acid SCHEMBL4180926 0.86 HTR1A (0.73) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL2300457 0.84 HTR1A (0.59) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL4182255 0.84 HTR1A (0.68) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL4170602 0.83 HTR1A (1.00) HTR1AHTR1DHTR1BSLC6A4DRD2
Hydrochloric Acid SCHEMBL4180133 0.82 HTR1A (0.98) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL2304001 0.82 HTR1A (0.65) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL2302815 0.80 HTR1A (0.61) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL4179832 0.80 HTR1A (0.63) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL2303687 0.79 HTR1A (0.53) HTR1AHTR1DHTR1BSLC6A4DRD2

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.