SCHEMBL3744849

SCHEMBL3744849

CCCCCCCCCC(=O)CC(=O)N1CCCC1C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.46
HTR1A P08908 7/20 0.44
HTR7 P34969 7/20 0.44
BCHE P06276 1/20 0.43
HAO1 Q9UJM8 1/20 0.43

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
SCHEMBL29195203 0.89 DPP4 (0.53) DPP4HTR1AHTR7
SCHEMBL3745290 0.88 ACE (0.53) HAO1
SCHEMBL16229682 0.87 DPP4 (0.54) DPP4HTR1AHTR7
SCHEMBL3747517 0.85 LMNA (0.47) DPP4HAO1
SCHEMBL6016860 0.85 ACE (0.51) HAO1
SCHEMBL3731038 0.85 LMNA (0.47) DPP4HAO1
SCHEMBL30183089 0.84 DPP4 (0.47) DPP4HTR1AHTR7
SCHEMBL30182675 0.84 DPP4 (0.47) DPP4HTR1AHTR7
SCHEMBL30182795 0.84 DPP4 (0.47) DPP4HTR1AHTR7
SCHEMBL30182755 0.84 DPP4 (0.47) DPP4HTR1AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280034-A1 Modulation of pathogenicity QUONOVA, LLC 2010-11-04 US disclosed
US-7338969-B2 Modulation of pathogenicity QUONOVA, LLC (US) 2008-03-04 US disclosed
US-20070208012-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-09-06 US disclosed
US-20070203128-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-30 US disclosed
US-20070196340-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-23 US disclosed
US-20070197492-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-23 US disclosed
US-20070184014-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-09 US disclosed
US-20070093534-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-04-26 US disclosed
EP-1622890-A2 BLOCKERS OF THE QUORUM SENSING SYSTEM OF GRAM-NEGATIVE BACTERIA 4SC AG (DE) 2006-02-08 EP disclosed
US-20040235914-A1 Modulation of pathogenicity 4 SC AG (DE) 2004-11-25 US disclosed
WO-2004099175-A2 BLOCKERS OF THE QUORUM SENSING SYSTEM OF GRAM-NEGATIVE BACTERIA 4SC AG (DE) 2004-11-18 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 (8 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-20070197492-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS DPP4 2970/4885HTR1A 3735/4885HTR7 3866/4885
US-20070203128-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS DPP4 2970/4885HTR1A 3735/4885HTR7 3866/4885
US-20070093534-A1 Modulation of Pathogenicity NR1H4, NR1I3, NR1H2 DPP4 4773/4885HTR1A 1996/4885HTR7 1787/4885
US-20040235914-A1 Modulation of pathogenicity Q6ZSR9, CCL11, CFH DPP4 4426/4885HTR1A 3332/4885HTR7 2144/4885
US-20070208012-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS DPP4 2970/4885HTR1A 3735/4885HTR7 3866/4885
US-20100280034-A1 Modulation of pathogenicity NR1H4, NR1I3, NR1H2 DPP4 4773/4885HTR1A 1996/4885HTR7 1787/4885
US-20070184014-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS DPP4 2970/4885HTR1A 3735/4885HTR7 3866/4885
US-20070196340-A1 Modulation of Pathogenicity NR1H4, NR1I3, NR1H2 DPP4 4773/4885HTR1A 1996/4885HTR7 1787/4885

“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.