SCHEMBL5044688

SCHEMBL5044688

COC(CNC(=O)Cc1cccc(OCc2ccccc2)c1)OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.51
LTB4R2 Q9NPC1 1/20 0.51
MAOB P27338 2/20 0.50
PTGES O14684 1/20 0.49
NR4A2 P43354 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
SMPD1 P17405 1/20 0.48
LTA4H P09960 1/20 0.47
BCHE P06276 2/20 0.47
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
CYP2D6 P10635 1/20 0.46
SPHK2 Q9NRA0 1/20 0.46
SPHK1 Q9NYA1 1/20 0.46

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
SCHEMBL228947 0.86 CA1 (0.54)
SCHEMBL30468424 0.86 CA1 (0.54)
SCHEMBL10700966 0.83 NPC1 (0.55) HDAC8HDAC6
SCHEMBL28381607 0.80 MRGPRX4 (0.46)
SCHEMBL2848161 0.79 MAOB (0.60) LTB4RLTB4R2MAOBPTGESNR4A2
SCHEMBL21465770 0.78 BCHE (0.70) MAOBBCHE
SCHEMBL21981026 0.78 NR4A2 (0.57) LTB4RLTB4R2MAOBNR4A2SMPD1
SCHEMBL10960772 0.77 HPGD (0.63) NR4A2LTA4HBCHECYP4F2CYP4A11
SCHEMBL20211905 0.77 EPHX2 (0.61) LTB4RLTB4R2NR4A2SMPD1LTA4H
SCHEMBL670027 0.76 MAOB (0.68) LTB4RLTB4R2MAOBNR4A2SMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100441188-C Benzazepine * derivatives as MAO-B inhibitors HOFFMANN LA ROCHE (CH) 2008-12-10 CN disclosed
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
CN-1871013-A Benzazepine derivatives as MAO-B inhibitors HOFFMANN LA ROCHE (CH) 2006-11-29 CN 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 LTB4R 864/4885LTB4R2 730/4885MAOB 1/4885
US-20070117791-A1 Bicyclic compounds MAOB, MAOA, XDH LTB4R 743/4885LTB4R2 598/4885MAOB 1/4885

“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.