SCHEMBL4170716

SCHEMBL4170716

CN1C(=O)COc2ccc(CCCl)c(F)c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.43
HTR1D P28221 3/20 0.43
HTR1B P28222 3/20 0.43
BRD4 O60885 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
CHRM1 P11229 1/20 0.32
KMO O15229 1/20 0.32
SLC6A4 P31645 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
TSHR P16473 2/20 0.31
GPR55 Q9Y2T6 1/20 0.31
HTR2C P28335 1/20 0.30
IDH1 O75874 1/20 0.30
HTT P42858 1/20 0.30
DRD2 P14416 1/20 0.30
HTR2A P28223 1/20 0.30
NR3C2 P08235 1/20 0.30
GABRG2 P18507 1/20 0.30

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
SCHEMBL30476247 0.76 HTR1A (0.38) HTR1AHTR1DHTR1BBRD4PDE3B
Hydrochloric Acid SCHEMBL6831442 0.74 HTR1A (0.41) HTR1AHTR1DHTR1BBRD4PDE3B
SCHEMBL4176245 0.69 HTR1A (0.46) HTR1AHTR1DHTR1BSLC6A4HTR2C
SCHEMBL4173618 0.69 HTR1A (0.51) HTR1AHTR1DHTR1BPDE3BPDE3A
SCHEMBL30336343 0.69 TERT (0.41) HTR1AHTR1DHTR1BBRD4PDE3B
SCHEMBL18331642 0.68 HTR1A (0.43) HTR1AHTR1DHTR1BBRD4CYP11B1
SCHEMBL4095839 0.68 KMO (0.39) HTR1AHTR1DHTR1BCHRM1KMO
SCHEMBL9197069 0.66 PDE3B (0.48) HTR1AHTR1DHTR1BBRD4PDE3B
SCHEMBL27434592 0.66 HTR1A (0.36) HTR1AHTR1DHTR1BKMOCYP11B1
SCHEMBL10442160 0.64 HTR1A (0.42) HTR1AHTR1DHTR1BBRD4PDE3B

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 47/4885HTR1D 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.