SCHEMBL2115510

SCHEMBL2115510

Cn1c(N2CCCO[C@@H](c3ccc(Br)cc3)C2)nc(-c2ccncc2)cc1=O

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.73
CYP2D6 P10635 7/20 0.73
CYP1A2 P05177 5/20 0.73
CSNK1A1 P48729 1/20 0.57
GSK3A P49840 1/20 0.57

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
SCHEMBL2115513 1.00 GSK3B (0.73) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL14063606 0.94 GSK3B (0.82) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL4027440 0.94 GSK3B (0.82) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL4030209 0.94 GSK3B (0.82) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL2116045 0.90 GSK3B (0.89) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL2116909 0.90 GSK3B (0.89) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL2116047 0.90 GSK3B (0.89) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL2602772 0.90 GSK3B (0.89) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL2116221 0.90 GSK3B (0.72) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL2119680 0.90 GSK3B (0.72) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A

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 7 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
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 GSK3B 78/4885CYP2D6 2595/4885CYP1A2 2517/4885

“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.