SCHEMBL2118646

SCHEMBL2118646

O=C1COCCC(c2ccccc2)N1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.45
CHRM3 P20309 2/20 0.45
HCRTR1 O43613 2/20 0.41
HCRTR2 O43614 2/20 0.41
TSHR P16473 2/20 0.41
HPGD P15428 1/20 0.41
EHMT2 Q96KQ7 1/20 0.41
P2RX7 Q99572 2/20 0.39
TP53 P04637 1/20 0.39
MDM2 Q00987 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RIPK1 Q13546 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL537384 0.81 EHMT2 (0.41) HCRTR1HCRTR2TSHREHMT2P2RX7
SCHEMBL22201131 0.80 CHRM2 (0.56) CHRM2CHRM3HCRTR1HCRTR2TSHR
SCHEMBL22190389 0.80 CHRM2 (0.56) CHRM2CHRM3HCRTR1HCRTR2TSHR
SCHEMBL1334979 0.74 HCRTR1 (0.58) HCRTR1HCRTR2MEN1KMT2AALDH1A1
SCHEMBL1334981 0.74 HCRTR1 (0.58) HCRTR1HCRTR2MEN1KMT2AALDH1A1
SCHEMBL1909819 0.72 HCRTR2 (0.62) CHRM2CHRM3HCRTR1HCRTR2TP53
SCHEMBL1008151 0.72 P2RX7 (0.46) HCRTR1HCRTR2EHMT2P2RX7MEN1
SCHEMBL3333497 0.72 P2RX7 (0.46) HCRTR1HCRTR2TSHRHPGDEHMT2
SCHEMBL1189963 0.72 P2RX7 (0.46) HCRTR1HCRTR2EHMT2P2RX7MEN1
SCHEMBL1008150 0.72 P2RX7 (0.46) HCRTR1HCRTR2EHMT2P2RX7MEN1

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 CHRM2 732/4885CHRM3 812/4885HCRTR1 1067/4885

“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.