SCHEMBL537262

SCHEMBL537262

CC(c1ccccc1)N1CCOC(c2ccc(C#N)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.44
LTA4H P09960 3/20 0.44
OPRD1 P41143 2/20 0.40
MC4R P32245 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
OGA O60502 2/20 0.38
OPRM1 P35372 3/20 0.37
OPRK1 P41145 2/20 0.37
OPRL1 P41146 2/20 0.37
DPP4 P27487 1/20 0.37
KCNH2 Q12809 1/20 0.37
TACR1 P25103 1/20 0.37
MRGPRX1 Q96LB2 1/20 0.37
ACKR3 P25106 1/20 0.37

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
SCHEMBL2115059 1.00 CYP2D6 (0.44) CYP2D6LTA4HOPRD1MC4RHRH3
SCHEMBL136842 0.89 LTA4H (0.42) CYP2D6LTA4HOPRD1MC4RHRH3
SCHEMBL13372595 0.89 LTA4H (0.42) CYP2D6LTA4HOPRD1MC4RHRH3
SCHEMBL136843 0.89 LTA4H (0.42) CYP2D6LTA4HOPRD1MC4RHRH3
SCHEMBL2602809 0.87 CYP2D6 (0.54) CYP2D6LTA4HOPRD1MC4ROPRM1
SCHEMBL2605879 0.85 CYP2D6 (0.49) CYP2D6LTA4HOPRD1MC4ROPRM1
SCHEMBL2115070 0.84 CYP2D6 (0.47) CYP2D6LTA4HOPRD1MC4ROPRM1
SCHEMBL2602805 0.81 CYP2D6 (0.44) CYP2D6LTA4HOPRD1MC4ROPRM1
SCHEMBL2119158 0.81 LTA4H (0.49) CYP2D6LTA4HOPRD1MC4ROPRM1
SCHEMBL2602808 0.81 LTA4H (0.42) CYP2D6LTA4HOPRD1MC4ROPRM1

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 4 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
EP-2414349-A1 3-Ý1,4¨OXAZEPANE-4-PYRIMIDONE DERIVATIVES Mitsubishi Tanabe Pharma Corporation (JP) 2012-02-08 EP 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 CYP2D6 2595/4885LTA4H 4183/4885OPRD1 689/4885

“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.