SCHEMBL2436403

SCHEMBL2436403

N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccc(-c2ccccn2)cc1)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.42
UGT1A1 P22309 3/20 0.42
OPRK1 P41145 2/20 0.42
MLNR O43193 1/20 0.42
NR1I2 O75469 1/20 0.42
SLCO2B1 O94956 1/20 0.42
ABCB11 O95342 1/20 0.42
ABCB1 P08183 1/20 0.42
CCKAR P32238 1/20 0.42
GHSR Q92847 1/20 0.42
SLCO1B3 Q9NPD5 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
SLCO1B1 Q9Y6L6 1/20 0.42
MME P08473 2/20 0.38
TPH1 P17752 1/20 0.37
KCNH2 Q12809 1/20 0.37
SLC15A1 P46059 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
GPR88 Q9GZN0 1/20 0.36
FFAR1 O14842 1/20 0.36

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
SCHEMBL2439405 0.86 NPC1 (0.36) UGT1A1OPRK1MLNRNR1I2SLCO2B1
SCHEMBL2438701 0.85 UGT1A1 (0.44) DPP4UGT1A1OPRK1MLNRNR1I2
SCHEMBL894048 0.85 UGT1A1 (0.44) DPP4UGT1A1OPRK1MLNRNR1I2
SCHEMBL2438235 0.82 CTSC (0.37) UGT1A1OPRK1MLNRNR1I2SLCO2B1
SCHEMBL2435823 0.82 DPP4 (0.45) DPP4UGT1A1OPRK1MLNRNR1I2
SCHEMBL2436930 0.81 UGT1A1 (0.54) UGT1A1OPRK1MLNRNR1I2SLCO2B1
SCHEMBL2434924 0.81 UGT1A1 (0.54) UGT1A1OPRK1MLNRNR1I2SLCO2B1
SCHEMBL2434930 0.81 UGT1A1 (0.54) UGT1A1OPRK1MLNRNR1I2SLCO2B1
SCHEMBL2438927 0.81 UGT1A1 (0.54) UGT1A1OPRK1MLNRNR1I2SLCO2B1
SCHEMBL8152590 0.79 UGT1A1 (0.43) DPP4UGT1A1OPRK1MLNRNR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697344-B1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 2011-09-28 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
US-20050148623-A1 Prevent reproduct of aids virus ABBVIE INC. 2005-07-07 US 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 (3 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 DPP4 497/4885UGT1A1 1234/4885OPRK1 3276/4885
US-20050131017-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP DPP4 140/4885UGT1A1 2307/4885OPRK1 3075/4885
US-20100249181-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP DPP4 140/4885UGT1A1 2307/4885OPRK1 3075/4885

“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.