SCHEMBL4378085

SCHEMBL4378085

CCCC[C@@H](C)CC(C#N)CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.40
ACE2 Q9BYF1 1/20 0.39
MAPT P10636 1/20 0.36
CA2 P00918 1/20 0.35
MAPK1 P28482 1/20 0.35
CTSS P25774 2/20 0.35
CTSK P43235 2/20 0.35
CTSL P07711 1/20 0.35
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
PDF Q9HBH1 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
FFAR1 O14842 1/20 0.32
AKR1B1 P15121 1/20 0.31
PLA2G10 O15496 1/20 0.31

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
SCHEMBL3017717 1.00 GPR84 (0.40) GPR84ACE2MAPTCA2MAPK1
SCHEMBL4382761 1.00 GPR84 (0.40) GPR84ACE2MAPTCA2MAPK1
SCHEMBL3017715 1.00 GPR84 (0.40) GPR84ACE2MAPTCA2MAPK1
SCHEMBL4381201 1.00 GPR84 (0.40) GPR84ACE2MAPTCA2MAPK1
SCHEMBL3015727 0.90 TSHR (0.34) GPR84ACE2SLC1A3SLC1A2SLC1A1
SCHEMBL3015730 0.90 TSHR (0.34) GPR84ACE2SLC1A3SLC1A2SLC1A1
SCHEMBL4381154 0.90 TSHR (0.34) GPR84ACE2SLC1A3SLC1A2SLC1A1
SCHEMBL4378802 0.90 TSHR (0.34) GPR84ACE2SLC1A3SLC1A2SLC1A1
SCHEMBL29035779 0.90 TSHR (0.34) GPR84ACE2SLC1A3SLC1A2SLC1A1
SCHEMBL4387847 0.90 TSHR (0.34) GPR84ACE2SLC1A3SLC1A2SLC1A1

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-20090299093-A1 Preparation of Gamma-Amino Acids Having Affinity for The Alpha-2-Delta Protein PFIZER INC. 2009-12-03 US claimed
EP-1973867-A1 PREPARATION OF GAMMA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN Pfizer Products Inc. (US) 2008-10-01 EP claimed
WO-2007072159-A1 PREPARATION OF GAMMA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN PFIZER PRODUCTS INC. (US) 2007-06-28 WO claimed
US-20070141684-A1 Preparation of gamma-amino acids having affinity for the alpha-2-delta protein PFIZER INC 2007-06-21 US claimed
US-20090299093-A1 Preparation of Gamma-Amino Acids Having Affinity for The Alpha-2-Delta Protein PFIZER INC. 2009-12-03 US disclosed
EP-2017259-A2 Preparation of gamma-amino acids having affinity for the alpha-2-delta protein Pfizer Products Inc. (US) 2009-01-21 EP disclosed
EP-1973867-A1 PREPARATION OF GAMMA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN Pfizer Products Inc. (US) 2008-10-01 EP disclosed
WO-2007072159-A1 PREPARATION OF GAMMA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN PFIZER PRODUCTS INC. (US) 2007-06-28 WO disclosed
US-20070141684-A1 Preparation of gamma-amino acids having affinity for the alpha-2-delta protein PFIZER INC 2007-06-21 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 (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-20070141684-A1 Preparation of gamma-amino acids having affinity for the alpha-2-delta protein SCN2A, CACNG2, SCN1A GPR84 1437/4885ACE2 1182/4885MAPT 1799/4885
US-20090299093-A1 Preparation of Gamma-Amino Acids Having Affinity for The Alpha-2-Delta Protein SCN2A, CACNG2, SCN1A GPR84 1437/4885ACE2 1182/4885MAPT 1799/4885

“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.