SCHEMBL3797429

SCHEMBL3797429

O=C(O)N[C@@H](Cc1ccccc1)[C@@H]1CC(Cc2ccc(-c3ccccn3)cc2)C(=O)O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.38
DAGLB Q8NCG7 1/20 0.37
DAGLA Q9Y4D2 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
MME P08473 2/20 0.35
PPARG P37231 1/20 0.35
MLNR O43193 1/20 0.35
NR1I2 O75469 1/20 0.35
SLCO2B1 O94956 1/20 0.35
ABCB11 O95342 1/20 0.35
ABCB1 P08183 1/20 0.35
UGT1A1 P22309 1/20 0.35
CCKAR P32238 1/20 0.35
OPRK1 P41145 1/20 0.35
GHSR Q92847 1/20 0.35
SLCO1B3 Q9NPD5 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35
TPH1 P17752 1/20 0.35
F2 P00734 1/20 0.35

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
SCHEMBL3803345 1.00 DPP4 (0.38) DPP4DAGLBDAGLAHCAR2MME
SCHEMBL6838153 0.87 POLB (0.36)
SCHEMBL6838155 0.87 POLB (0.36)
SCHEMBL3806061 0.83 FPR2 (0.37) MME
SCHEMBL2438075 0.82 MLNR (0.34) DAGLBDAGLAHCAR2MLNRNR1I2
SCHEMBL2436778 0.82 MLNR (0.34) DAGLBDAGLAHCAR2MLNRNR1I2
SCHEMBL2436776 0.79 UGT1A1 (0.39) DPP4DAGLBDAGLAHCAR2PPARG
SCHEMBL2438073 0.79 UGT1A1 (0.39) DPP4DAGLBDAGLAHCAR2PPARG
SCHEMBL7638895 0.76 CTSS (0.48) PPARGCCKARCTSLCTSBCTSS
SCHEMBL6786616 0.74 ATM (0.42) PPARGCTSLCTSBCTSS

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 2 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-2266971-A2 Hiv protease inhibiting compounds Abbott Laboratories (US) 2010-12-29 EP 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-20140194349-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP DPP4 140/4885DAGLB 1873/4885DAGLA 2658/4885

“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.