SCHEMBL538067

SCHEMBL538067

CC1CCOCCN1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.48
ACHE P22303 1/20 0.47
HRH3 Q9Y5N1 2/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
CACNA1G O43497 1/20 0.44
CACNA1H O95180 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL1189298 0.85 LTA4H (0.62) LTA4HACHEMAPTSIGMAR1
SCHEMBL1005882 0.85 LTA4H (0.62) LTA4HACHEMAPTSIGMAR1
SCHEMBL1005883 0.85 LTA4H (0.62) LTA4HACHEMAPTSIGMAR1
SCHEMBL6853255 0.83 ACHE (0.56) ACHEHRH3ALDH1A1MAPTSIGMAR1
SCHEMBL20588229 0.83 ACHE (0.56) ACHEHRH3ALDH1A1MAPTSIGMAR1
SCHEMBL19121966 0.81 NCF1 (0.39) LTA4HHRH3ALDH1A1MAPTSIGMAR1
SCHEMBL13291354 0.80 ALDH1A1 (0.63) LTA4HACHEHRH3ALDH1A1KDM4E
SCHEMBL3355426 0.80 ALDH1A1 (0.63) LTA4HACHEHRH3ALDH1A1KDM4E
SCHEMBL1357166 0.80 ALDH1A1 (0.63) LTA4HACHEHRH3ALDH1A1KDM4E
SCHEMBL537320 0.79 SIGMAR1 (0.49) ACHESIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4573089-A2 KRAS INHIBITORS Bristol-Myers Squibb Company (US) 2025-06-25 EP disclosed
CN-119998275-A KRAS inhibitors 百时美施贵宝公司 2025-05-13 CN disclosed
US-20240199584-A1 KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2024-06-20 US disclosed
WO-2024040109-A2 KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-02-22 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 (2 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 LTA4H 4183/4885ACHE 918/4885HRH3 763/4885
US-20240199584-A1 KRAS INHIBITORS KRAS, NRAS, HRAS LTA4H 4395/4885ACHE 4848/4885HRH3 3938/4885

“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.