SCHEMBL2116880

SCHEMBL2116880

COc1ccccc1C1CCN(c2nc(-c3ccncc3F)cc(=O)n2C)CCO1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.64
CYP2D6 P10635 10/20 0.64
CYP1A2 P05177 9/20 0.64
CSNK1A1 P48729 1/20 0.46
GSK3A P49840 1/20 0.46

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
SCHEMBL2115100 0.92 GSK3B (0.68) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL2116051 0.86 GSK3B (0.67) GSK3BCYP2D6CYP1A2
SCHEMBL2115015 0.85 GSK3B (0.71) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL2117402 0.85 GSK3B (0.85) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL2116034 0.85 GSK3B (0.63) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL2114922 0.84 GSK3B (0.85) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL88088 0.82 GSK3B (0.67) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL87979 0.82 GSK3B (0.67) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL2602781 0.82 GSK3B (0.75) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL88592 0.82 GSK3B (0.67) 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.