SCHEMBL537663

SCHEMBL537663

COc1ccc(CN2CCCOC(C)C2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 3/20 0.50
▸ GAA P10253 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CMA1 P23946 1/20 0.44
▸ DRD4 P21917 1/20 0.43
▸ P2RX4 Q99571 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ GSK3A P49840 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ MMP1 P03956 1/20 0.42
▸ MMP13 P45452 1/20 0.42
▸ SIGMAR1 Q99720 2/20 0.41
▸ POLB P06746 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
SCHEMBL29079618 1.00 GRM2 (0.50) GRM2GAASMN1; SMN2CMA1DRD4
SCHEMBL16466966 0.77 GAA (0.49) GRM2GAASMN1; SMN2CMA1DRD4
SCHEMBL16589758 0.76 F9 (0.47) SMN1; SMN2KMT2A
SCHEMBL16589755 0.76 GRM2 (0.49) GRM2DRD4SIGMAR1
SCHEMBL14935178 0.75 GRM2 (0.46) GRM2GAASMN1; SMN2DRD4MEN1
SCHEMBL2016909 0.75 GAA (0.49) GRM2GAACMA1GSK3AGSK3B
SCHEMBL5638987 0.75 GAA (0.49) GRM2GAACMA1GSK3AGSK3B
SCHEMBL3264320 0.75 GAA (0.52) GRM2GAACMA1GSK3AGSK3B
SCHEMBL15922327 0.75 TACR1 (0.51) GRM2DRD4MEN1KMT2ASIGMAR1
SCHEMBL173296 0.74 GAA (0.51) GRM2GAASMN1; SMN2CMA1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116648248-A Aromatic compound, pharmaceutical composition containing same and application thereof 成都茵创园医药科技有限公司 2023-08-25 — — CN disclosed
WO-2022161414-A1 AROMATIC COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND APPLICATION THEREOF 成都茵创园医药科技有限公司 2022-08-04 — — WO 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-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 GRM2 483/4885GAA 2397/4885SMN1; SMN2 271/4885

“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.

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