SCHEMBL2602808

SCHEMBL2602808

C[C@H](c1ccccc1)N1CCOC(c2ccc(NC=O)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.42
CYP2D6 P10635 1/20 0.41
MC4R P32245 1/20 0.38
OPRM1 P35372 3/20 0.38
OPRK1 P41145 2/20 0.38
OPRL1 P41146 2/20 0.38
DRD4 P21917 1/20 0.38
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
CCR5 P51681 1/20 0.35
MOGAT2 Q3SYC2 1/20 0.35
BRD4 O60885 1/20 0.34
OPRD1 P41143 1/20 0.34

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
SCHEMBL2602809 0.84 CYP2D6 (0.54) LTA4HCYP2D6MC4ROPRM1OPRK1
SCHEMBL2605879 0.82 CYP2D6 (0.49) LTA4HCYP2D6MC4ROPRM1OPRK1
SCHEMBL2115070 0.81 CYP2D6 (0.47) LTA4HCYP2D6MC4ROPRM1OPRK1
SCHEMBL2115059 0.81 CYP2D6 (0.44) LTA4HCYP2D6MC4ROPRM1OPRK1
SCHEMBL537262 0.81 CYP2D6 (0.44) LTA4HCYP2D6MC4ROPRM1OPRK1
SCHEMBL2119158 0.81 LTA4H (0.49) LTA4HCYP2D6MC4ROPRM1OPRK1
SCHEMBL2116698 0.79 LTA4H (0.47) LTA4HCYP2D6MC4ROPRM1OPRK1
SCHEMBL2602805 0.78 CYP2D6 (0.44) LTA4HCYP2D6MC4ROPRM1OPRK1
SCHEMBL13372943 0.74 LTA4H (0.42) LTA4HCYP2D6MC4RALDH1A1TSHR
SCHEMBL965981 0.74 LTA4H (0.42) LTA4HCYP2D6MC4RALDH1A1TSHR

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 2 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-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 LTA4H 4183/4885CYP2D6 2595/4885MC4R 2572/4885

“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.