SCHEMBL537357

SCHEMBL537357

c1ccc(CN2CCOCC(c3ccc(-c4ncon4)cc3)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.42
HCRTR1 O43613 3/20 0.39
HCRTR2 O43614 3/20 0.39
DRD4 P21917 1/20 0.39
CNR2 P34972 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CYP2D6 P10635 1/20 0.38
KCNH2 Q12809 1/20 0.38
LTA4H P09960 3/20 0.38
HPGDS O60760 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR5 Q9H228 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL537468 0.78 DRD4 (0.41) DRD4CNR2HRH3TMEM97SIGMAR1
SCHEMBL537463 0.78 RORC (0.50) DRD4HRH3TMEM97SIGMAR1LTA4H
SCHEMBL2602802 0.75 GAA (0.52) DRD4LTA4HALDH1A1SMN1; SMN2
SCHEMBL2602797 0.75 DRD4 (0.46) DRD4CNR2HRH3TMEM97SIGMAR1
SCHEMBL537037 0.75 DRD2 (0.48) DRD4CNR2HRH3TMEM97SIGMAR1
SCHEMBL2602796 0.73 DRD4 (0.43) DRD4TMEM97SIGMAR1CYP2D6LTA4H
SCHEMBL13597304 0.68 ACHE (0.54) DRD4HRH3SIGMAR1CYP2D6ALDH1A1
SCHEMBL6132849 0.68 DRD4 (0.51) DRD4HRH3SIGMAR1CYP2D6LTA4H
Hydrochloric Acid SCHEMBL6261135 0.66 SIGMAR1 (0.68) DRD4HRH3SIGMAR1ALDH1A1LMNA
SCHEMBL13597305 0.66 DRD4 (0.49) DRD4HRH3SIGMAR1CYP2D6ALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9108957-B2 3-[1,4]oxazepane-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-08-18 US disclosed
US-9108957-B2 3-[1,4]oxazepane-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-08-18 US disclosed
US-9108957-B2 3-[1,4]oxazepane-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-08-18 US disclosed
US-20120095216-A1 3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES SANOFI (FR) 2012-04-19 US disclosed
US-20120095216-A1 3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES SANOFI (FR) 2012-04-19 US disclosed
US-20120095216-A1 3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES SANOFI (FR) 2012-04-19 US disclosed
EP-2414349-A1 3-Ý1,4¨OXAZEPANE-4-PYRIMIDONE DERIVATIVES Mitsubishi Tanabe Pharma Corporation (JP) 2012-02-08 EP disclosed
WO-2010114179-A1 3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-10-07 WO disclosed
WO-2010114179-A1 3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-10-07 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 (1 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-20120095216-A1 3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES PSEN1, MAPT, PSEN2 SLC2A1 1559/4885HCRTR1 1067/4885HCRTR2 1237/4885

“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.