SCHEMBL6438853

SCHEMBL6438853

O=C1NCc2ccc(OCc3cccc(F)c3)cc21

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 14/20 0.57
MAOA P21397 5/20 0.57
GRM5 P41594 2/20 0.52
CYP1A2 P05177 1/20 0.50
HTR1A P08908 4/20 0.49
DRD2 P14416 4/20 0.49
HTR2A P28223 4/20 0.49
KCNH2 Q12809 3/20 0.49
NR4A2 P43354 1/20 0.49

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
SCHEMBL6438904 0.90 MAOB (0.63) MAOBMAOAGRM5CYP1A2NR4A2
SCHEMBL4425403 0.81 MAOB (0.67) MAOBMAOAGRM5CYP1A2NR4A2
SCHEMBL20905162 0.76 MAOB (0.58) MAOBMAOAGRM5NR4A2
SCHEMBL31419919 0.76 MAOB (0.74) MAOBMAOAGRM5NR4A2
SCHEMBL31419916 0.76 MAOB (0.74) MAOBMAOAGRM5NR4A2
SCHEMBL6439886 0.75 MAOB (0.61) MAOBMAOAGRM5CYP1A2
SCHEMBL861068 0.75 MAOB (0.47) MAOBMAOAGRM5CYP1A2NR4A2
SCHEMBL861069 0.75 MAOB (0.47) MAOBMAOAGRM5CYP1A2NR4A2
SCHEMBL2598011 0.75 MAOB (0.47) MAOBMAOAGRM5CYP1A2NR4A2
SCHEMBL2598012 0.75 MAOB (0.47) MAOBMAOAGRM5CYP1A2NR4A2

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-1539694-A1 2,3-DIHYDRO-ISOINDOL-1-ONES WITH MAO-B INHIBITING ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2005-06-15 EP disclosed
US-6846832-B2 2,3-dihydro-isoindol-1-one derivatives HOFFMAN-LA ROCHE INC. (US) 2005-01-25 US disclosed
US-20040082603-A1 2,3-Dihydro-isoindol-1-one derivatives HOFFMANN-LA ROCHE INC. 2004-04-29 US disclosed
WO-2004014856-A1 2,3-DIHYDRO-ISOINDOL-1-ONES WITH MAO-B INHIBITING ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2004-02-19 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-20040082603-A1 2,3-Dihydro-isoindol-1-one derivatives MAOB, MAOA, COMT MAOB 1/4885MAOA 2/4885GRM5 1762/4885

“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.