SCHEMBL4929757

SCHEMBL4929757

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.43
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41
SLC1A3 P43003 1/20 0.41
ALDH1A1 P00352 1/20 0.41
S1PR2 O95136 1/20 0.40
S1PR1 P21453 1/20 0.40
SLC15A1 P46059 1/20 0.40
CA2 P00918 2/20 0.38
MAPK1 P28482 1/20 0.38
CA1 P00915 1/20 0.37
PDF Q9HBH1 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 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
SCHEMBL6061174 1.00 GPR84 (0.43) GPR84SLC1A2SLC1A1SLC1A3ALDH1A1
SCHEMBL6061959 1.00 GPR84 (0.43) GPR84SLC1A2SLC1A1SLC1A3ALDH1A1
SCHEMBL6061230 1.00 GPR84 (0.43) GPR84SLC1A2SLC1A1SLC1A3ALDH1A1
SCHEMBL4929759 1.00 GPR84 (0.43) GPR84SLC1A2SLC1A1SLC1A3ALDH1A1
SCHEMBL6062143 0.95 GPR84 (0.50) GPR84SLC1A2SLC1A1ALDH1A1S1PR2
SCHEMBL6061629 0.95 GPR84 (0.50) GPR84SLC1A2SLC1A1ALDH1A1S1PR2
SCHEMBL6061179 0.95 GPR84 (0.50) GPR84SLC1A2SLC1A1ALDH1A1S1PR2
SCHEMBL4989605 0.95 GPR84 (0.50) GPR84SLC1A2SLC1A1ALDH1A1S1PR2
SCHEMBL4989357 0.95 GPR84 (0.50) GPR84SLC1A2SLC1A1ALDH1A1S1PR2
SCHEMBL1813910 0.89 ALDH1A1 (0.43) GPR84SLC1A2SLC1A1SLC1A3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667957-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN Warner-Lambert Company LLC (US) 2006-06-14 EP claimed
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US claimed
WO-2005030700-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 WO claimed
US-20080194841-A1 Preparation of Optically Pure Beta-Amino Acids Having Affinity for the Alpha-Delta Protein PFIZER INC. 2008-08-14 US disclosed
US-7388023-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2008-06-17 US disclosed
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN WANER-LAMBERT COMPANY LLC (US) 2007-06-07 US disclosed
US-7179934-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2007-02-20 US disclosed
WO-2006100606-A2 PREPARATION OF BETA-AMINO ACID PRECURSORS VIA INDIUM (III) MEDIATED MARKOVNIKOV ADDITION AND KNOEVENAGEL CONDENSATION WARNER-LAMBERT COMPANY LLC (US) 2006-09-28 WO disclosed
EP-1667957-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN Warner-Lambert Company LLC (US) 2006-06-14 EP disclosed
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US disclosed
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-05-12 US disclosed
WO-2005030700-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 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 (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-20050124668-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, SCN1A, OPRD1 GPR84 1112/4885SLC1A2 57/4885SLC1A1 106/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A GPR84 1267/4885SLC1A2 42/4885SLC1A1 111/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A GPR84 1241/4885SLC1A2 29/4885SLC1A1 91/4885
US-20080194841-A1 Preparation of Optically Pure Beta-Amino Acids Having Affinity for the Alpha-Delta Protein OPRD1, CHRND, CHRNE GPR84 705/4885SLC1A2 16/4885SLC1A1 37/4885

“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.