SCHEMBL2117155

SCHEMBL2117155

Cc1noc(-c2ccc(C3CCN([C@H](C)c4ccccc4)CCO3)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.41
LTA4H P09960 3/20 0.39
CYP2D6 P10635 1/20 0.38
TBK1 Q9UHD2 4/20 0.37
ACHE P22303 1/20 0.37
NPY2R P49146 1/20 0.37
CCR5 P51681 1/20 0.36
BRD4 O60885 2/20 0.36
KCNH2 Q12809 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR5 Q9H228 1/20 0.35
MC4R P32245 1/20 0.35
ACKR3 P25106 1/20 0.35

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
SCHEMBL2114930 0.84 DRD3 (0.42) LTA4HCYP2D6BRD4KCNH2
SCHEMBL2119686 0.84 DRD3 (0.42) LTA4HCYP2D6BRD4KCNH2
SCHEMBL2605879 0.81 CYP2D6 (0.49) LTA4HCYP2D6CCR5MC4R
SCHEMBL2602809 0.81 CYP2D6 (0.54) LTA4HCYP2D6CCR5MC4R
SCHEMBL2115070 0.80 CYP2D6 (0.47) LTA4HCYP2D6CCR5MC4R
SCHEMBL2115059 0.75 CYP2D6 (0.44) OGALTA4HCYP2D6KCNH2MC4R
SCHEMBL537262 0.75 CYP2D6 (0.44) OGALTA4HCYP2D6KCNH2MC4R
SCHEMBL2602805 0.75 CYP2D6 (0.44) LTA4HCYP2D6CCR5MC4R
SCHEMBL2119158 0.75 LTA4H (0.49) LTA4HCYP2D6MC4R
SCHEMBL101657 0.74 DRD3 (0.47) LTA4HCYP2D6BRD4KCNH2

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 OGA 2760/4885LTA4H 4183/4885CYP2D6 2595/4885

“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.