SCHEMBL2437662

SCHEMBL2437662

N#CCC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.54
EPOR P19235 7/20 0.51
ALOX5 P09917 3/20 0.49
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
PPARG P37231 2/20 0.48
PPARA Q07869 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
LTA4H P09960 1/20 0.46
LAP3 P28838 1/20 0.46
BCHE P06276 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
SCHEMBL13536393 0.88 MCL1 (0.43) MAOB
SCHEMBL2059348 0.88 MCL1 (0.43) MAOB
SCHEMBL7766679 0.88 MCL1 (0.43) MAOB
SCHEMBL3803671 0.84 PPARG (0.59) MAOBEPORALOX5PTGS1PTGS2
SCHEMBL2438787 0.82 LTA4H (0.60) MAOBEPORALOX5PTGS1PTGS2
SCHEMBL13110183 0.80 EPOR (0.72) MAOBEPORALOX5PTGS1PTGS2
SCHEMBL2435474 0.79 CTSL (0.42) PPARGFFAR1
SCHEMBL2438637 0.74 ALOX5 (0.51) MAOBEPORALOX5PTGS1PTGS2
SCHEMBL2438636 0.74 ALOX5 (0.51) MAOBEPORALOX5PTGS1PTGS2
SCHEMBL7425407 0.73 PPARG (0.55) MAOBEPORALOX5PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140194349-A1 HIV Protease Inhibiting Compounds ABBVIE INC. (US) 2014-07-10 US disclosed
EP-1697344-B1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 2011-09-28 EP disclosed
EP-2266971-A2 Hiv protease inhibiting compounds Abbott Laboratories (US) 2010-12-29 EP disclosed
US-7834043-B2 Prevent reproduct of aids virus ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-20100249181-A1 HIV Protease Inhibiting Compounds ABBOTT LABORATORIES (US) 2010-09-30 US disclosed
EP-1697344-A2 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2006-09-06 EP disclosed
US-20050148623-A1 Prevent reproduct of aids virus ABBVIE INC. 2005-07-07 US disclosed
WO-2005058841-A2 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2005-06-30 WO disclosed
US-20050131017-A1 HIV protease inhibiting compounds ABBOTT LABORATORIES 2005-06-16 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 (4 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-20050148623-A1 Prevent reproduct of aids virus SERPINB1, PRSS1, SERPINA3 MAOB 1210/4885EPOR 3731/4885ALOX5 1495/4885
US-20050131017-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP MAOB 824/4885EPOR 4567/4885ALOX5 1718/4885
US-20100249181-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP MAOB 824/4885EPOR 4567/4885ALOX5 1718/4885
US-20140194349-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP MAOB 824/4885EPOR 4567/4885ALOX5 1718/4885

“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.