SCHEMBL5044666

SCHEMBL5044666

CCOC(=O)C(=O)N1CCc2ccc(OCc3cccc(F)c3)cc2CC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.50
HRH3 Q9Y5N1 2/20 0.48
NR4A2 P43354 1/20 0.48
MAOA P21397 6/20 0.47
PARP10 Q53GL7 1/20 0.47
FFAR1 O14842 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 1/20 0.47
GFER P55789 1/20 0.47
PAX8 Q06710 1/20 0.47
KLF5 Q13887 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM1A O60341 1/20 0.46
TP53 P04637 1/20 0.45
RECQL P46063 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL6530711 0.94 MAOB (0.48) MAOBHRH3NR4A2MAOAPARP10
SCHEMBL5042194 0.86 MAOB (0.51) MAOBHRH3NR4A2MAOAPARP10
SCHEMBL3505582 0.85 MAOB (0.54) MAOBMAOAPARP10NPC1RAB9A
SCHEMBL3504780 0.85 MAOB (0.56) MAOBHRH3NR4A2MAOAPARP10
SCHEMBL5565059 0.84 NPC1 (0.56) MAOBHRH3NR4A2MAOAPARP10
SCHEMBL3505922 0.83 HRH3 (0.52) MAOBHRH3NR4A2MAOAPARP10
SCHEMBL3504799 0.83 MAOB (0.56) MAOBHRH3NR4A2MAOAPARP10
SCHEMBL3506456 0.83 HRH3 (0.49) MAOBHRH3NR4A2MAOANPC1
SCHEMBL3504068 0.82 HRH3 (0.50) MAOBHRH3NR4A2MAOAPARP10
SCHEMBL5049891 0.81 HRH3 (0.49) MAOBHRH3NR4A2MAOANPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680127-B1 BENZAZEPINE DERIVATIVES AS MAO-B INHIBITORS HOFFMANN LA ROCHE (CH) 2008-10-15 EP disclosed
US-20070117791-A1 Bicyclic compounds JOLIDON SYNESE 2007-05-24 US disclosed
US-7173023-B2 Bicyclic compounds HOFFMANN-LA ROCHE INC. (US) 2007-02-06 US disclosed
EP-1680127-A1 BENZAZEPINE DERIVATIVES AS MAO-B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-19 EP disclosed
US-20050107360-A1 Bicyclic compounds HOFFMANN-LA ROCHE INC. 2005-05-19 US disclosed
WO-2005039591-A1 BENZAZEPINE DERIVATIVES AS MAO-B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-05-06 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 (2 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-20050107360-A1 Bicyclic compounds MAOB, MAOA, XDH MAOB 1/4885HRH3 149/4885NR4A2 1610/4885
US-20070117791-A1 Bicyclic compounds MAOB, MAOA, XDH MAOB 1/4885HRH3 94/4885NR4A2 1957/4885

“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.