SCHEMBL2117117

SCHEMBL2117117

C[C@H](c1ccccc1)N1CCC(c2ccc(Br)cc2)OCC1=O

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.45
HSD11B1 P28845 12/20 0.43
KMT2A Q03164 1/20 0.41

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
SCHEMBL2296900 0.90 MDM2 (0.47) MDM2HSD11B1KMT2A
SCHEMBL2294266 0.90 MDM2 (0.47) MDM2HSD11B1KMT2A
SCHEMBL917086 0.90 MDM2 (0.47) MDM2HSD11B1KMT2A
SCHEMBL2294941 0.90 MDM2 (0.47) MDM2HSD11B1KMT2A
SCHEMBL31322202 0.82 HSD11B1 (0.46) HSD11B1KMT2A
SCHEMBL31322210 0.82 HSD11B1 (0.46) HSD11B1KMT2A
SCHEMBL2295538 0.78 KMT2A (0.46) HSD11B1KMT2A
SCHEMBL2297334 0.78 KMT2A (0.46) MDM2HSD11B1KMT2A
SCHEMBL8069310 0.78 KMT2A (0.46) MDM2HSD11B1KMT2A
SCHEMBL2298680 0.78 KMT2A (0.46) MDM2HSD11B1KMT2A

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 6 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

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 MDM2 1541/4885HSD11B1 2125/4885KMT2A 2756/4885

“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.