SCHEMBL5228985

SCHEMBL5228985

CN(C)CCn1c(=O)c2c3cc(OCCOS(C)(=O)=O)ccc3c3[nH]c4ccccc4oc3c2c1=O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.35
SIGMAR1 Q99720 4/20 0.35
BCHE P06276 13/20 0.35
ACHE P22303 9/20 0.35
MPO P05164 1/20 0.34
HAVCR2 Q8TDQ0 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
SCHEMBL5226141 0.89 SIGMAR1 (0.39) MAOASIGMAR1BCHEACHEMPO
SCHEMBL5226351 0.80 MPO (0.40) MPOHAVCR2
Hydrochloric Acid SCHEMBL5412040 0.80 MPO (0.40) MPOHAVCR2
SCHEMBL5318072 0.78 MAOA (0.37) MAOASIGMAR1BCHEACHE
SCHEMBL5452569 0.78 NR1H2 (0.34) SIGMAR1BCHEACHE
SCHEMBL5333498 0.75 MPO (0.44) SIGMAR1MPOHAVCR2
SCHEMBL5230537 0.72 MPO (0.42) MPO
SCHEMBL5333461 0.70 MAOA (0.46) MAOA
SCHEMBL5334632 0.70 CDK4 (0.44) MAOAACHE
SCHEMBL5421563 0.69 SIGMAR1 (0.38) SIGMAR1

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
EP-1556387-B1 SUBSTITUTED BENZOL E| 1,4| OXAZINO 3,2-G| ISOINDOLE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2007-04-04 EP claimed
US-7312213-B2 Substituted benzo[e][1,4]oxazino[3,2-g]isoindole compounds LES LABORATORIES SERVIER (FR) 2007-12-25 US disclosed
EP-1556387-B1 SUBSTITUTED BENZOL E| 1,4| OXAZINO 3,2-G| ISOINDOLE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2007-04-04 EP disclosed
US-20060003997-A1 Substituted benzo[e] [1,4] oxazino [3,2-g] isoindole compounds LES LABORATOIRES SERVIER (FR) 2006-01-05 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-20060003997-A1 Substituted benzo[e] [1,4] oxazino [3,2-g] isoindole compounds H1-3, H1-0, H1-2 MAOA 889/4885SIGMAR1 210/4885BCHE 1863/4885

“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.