SCHEMBL2114585

SCHEMBL2114585

C[C@@H]1COCCCN1C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
USP2 O75604 1/20 0.46
RECQL P46063 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
HPGD P15428 1/20 0.37
NPC1 O15118 1/20 0.36
PIK3R1 P27986 2/20 0.36
PIK3CA P42336 2/20 0.36

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
SCHEMBL2114587 1.00 SMN1; SMN2 (0.46) SMN1; SMN2USP2RECQLHSD17B10ALDH1A1
SCHEMBL315706 0.90 USP2 (0.53) SMN1; SMN2USP2RECQLHSD17B10CA12
SCHEMBL12021701 0.90 USP2 (0.53) SMN1; SMN2USP2RECQLHSD17B10CA12
SCHEMBL12021512 0.90 USP2 (0.53) SMN1; SMN2USP2RECQLHSD17B10CA12
SCHEMBL18555204 0.82 HSD17B10 (0.51) SMN1; SMN2USP2RECQLHSD17B10ALDH1A1
SCHEMBL31148667 0.82 HSD17B10 (0.51) SMN1; SMN2USP2RECQLHSD17B10ALDH1A1
SCHEMBL18555206 0.82 HSD17B10 (0.51) SMN1; SMN2USP2RECQLHSD17B10ALDH1A1
SCHEMBL31148538 0.81 SMN1; SMN2 (0.43) SMN1; SMN2USP2RECQLHSD17B10ALDH1A1
SCHEMBL31148682 0.81 SMN1; SMN2 (0.43) SMN1; SMN2USP2RECQLHSD17B10ALDH1A1
SCHEMBL30789316 0.81 SMN1; SMN2 (0.43) SMN1; SMN2USP2RECQLHSD17B10ALDH1A1

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
WO-2013095275-A1 NOVEL HEPATITIS C VIRUS INHIBITORS MEDIVIR AB (SE) 2013-06-27 WO 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 SMN1; SMN2 271/4885USP2 2982/4885RECQL 1730/4885

“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.