SCHEMBL2116698

SCHEMBL2116698

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.47
DRD4 P21917 1/20 0.45
CYP2D6 P10635 1/20 0.42
OPRD1 P41143 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
CHRM4 P08173 1/20 0.39
MC4R P32245 1/20 0.39
OPRK1 P41145 4/20 0.39
KCNH2 Q12809 3/20 0.39
OPRM1 P35372 3/20 0.39
OPRL1 P41146 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 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
SCHEMBL2119158 0.91 LTA4H (0.49) LTA4HDRD4CYP2D6OPRD1ALDH1A1
SCHEMBL2602809 0.85 CYP2D6 (0.54) LTA4HDRD4CYP2D6OPRD1ALDH1A1
SCHEMBL2605879 0.83 CYP2D6 (0.49) LTA4HDRD4CYP2D6OPRD1ALDH1A1
SCHEMBL2115070 0.82 CYP2D6 (0.47) LTA4HDRD4CYP2D6OPRD1MC4R
SCHEMBL27684474 0.80 ALDH1A1 (0.43) LTA4HDRD4CYP2D6OPRD1ALDH1A1
SCHEMBL83427 0.80 ALDH1A1 (0.43) LTA4HDRD4CYP2D6OPRD1ALDH1A1
SCHEMBL537262 0.79 CYP2D6 (0.44) LTA4HCYP2D6OPRD1MC4ROPRK1
SCHEMBL2115059 0.79 CYP2D6 (0.44) LTA4HCYP2D6OPRD1MC4ROPRK1
SCHEMBL2602805 0.79 CYP2D6 (0.44) LTA4HDRD4CYP2D6OPRD1ALDH1A1
SCHEMBL2602808 0.79 LTA4H (0.42) LTA4HDRD4CYP2D6OPRD1ALDH1A1

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 3 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-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 4183/4885DRD4 1511/4885CYP2D6 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.