SCHEMBL584298

SCHEMBL584298

CCCCC(C)CC(N)CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.46
S1PR1 P21453 1/20 0.46
SLC1A2 P43004 2/20 0.44
SLC1A1 P43005 2/20 0.44
SLC1A3 P43003 1/20 0.44
GPR84 Q9NQS5 4/20 0.43
ACE2 Q9BYF1 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GRIK1 P39086 2/20 0.40
GRIK2 Q13002 2/20 0.40
SLC15A1 P46059 1/20 0.40
CA2 P00918 2/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 1/20 0.38
BHMT Q93088 1/20 0.38
CA1 P00915 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP7 Q9UHL4 1/20 0.37

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
SCHEMBL3958660 1.00 S1PR2 (0.46) S1PR2S1PR1SLC1A2SLC1A1SLC1A3
SCHEMBL122149 1.00 S1PR2 (0.46) S1PR2S1PR1SLC1A2SLC1A1SLC1A3
SCHEMBL2909702 1.00 S1PR2 (0.46) S1PR2S1PR1SLC1A2SLC1A1SLC1A3
SCHEMBL2909705 1.00 S1PR2 (0.46) S1PR2S1PR1SLC1A2SLC1A1SLC1A3
Hydrochloric Acid SCHEMBL1199813 0.98 S1PR2 (0.45) S1PR2S1PR1SLC1A2SLC1A1SLC1A3
Hydrochloric Acid SCHEMBL3140001 0.98 S1PR2 (0.45) S1PR2S1PR1SLC1A2SLC1A1SLC1A3
SCHEMBL3967142 0.95 GPR84 (0.50) S1PR2S1PR1SLC1A2SLC1A1SLC1A3
SCHEMBL3963429 0.95 GPR84 (0.50) S1PR2S1PR1SLC1A2SLC1A1SLC1A3
Imagabalin SCHEMBL119441 0.89 ALDH1A1 (0.43) S1PR2S1PR1SLC1A2SLC1A1SLC1A3
Imagabalin SCHEMBL3961605 0.89 ALDH1A1 (0.43) S1PR2S1PR1SLC1A2SLC1A1SLC1A3

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 92 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125021-B8 COMBINATION THERAPY OF LOWER URINARY TRACT DISORDERS WITH ALPHA 2DELTA LIGANDS AND NSAIDS RECORDATI IRELAND LTD (IE) 2012-02-15 EP claimed
EP-2125021-A1 COMBINATION THERAPY OF LOWER URINARY TRACT DISORDERS WITH 2 LIGANDS AND NSAIDS Recordati Ireland Limited (IE) 2009-12-02 EP claimed
EP-1492761-B1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN WARNER LAMBERT CO (US) 2009-07-22 EP claimed
CN-100462351-C Amino acids having affinity for the alpha 2 delta protein WARNER LAMBERT CO (US) 2009-02-18 CN claimed
WO-2008077599-A1 COMBINATION THERAPY OF LOWER URINARY TRACT DISORDERS WITH α2δ LIGANDS AND NSAIDS RECORDATI IRELAND LIMITED (IE) 2008-07-03 WO claimed
US-20060247282-A1 Methods for using amino acids with affinity for the alpha2delta-protein BRAMSON CANDACE 2006-11-02 US claimed
US-7112610-B2 Methods for using amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2006-09-26 US claimed
US-20060154972-A1 Amino acids with affinity for the alpha-2-delta-protein BARTA NANCY S 2006-07-13 US claimed
EP-1658058-A1 A PHARMACEUTICAL COMPOSITION FOR THE PREVENTION AND TREATMENT OF ADDICTION IN A MAMMAL Pfizer Products Inc. (US) 2006-05-24 EP claimed
EP-1658098-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN ALPHA2DELTA LIGAND AND AN OPIOID RECEPTOR ANTAGONIST FOR THE PREVENTION AND TREATMENT OF ADDICTION IN A MAMMAL Pfizer Products Inc. (US) 2006-05-24 EP claimed
CN-1653036-A Amino acids having affinity for the alpha 2 delta protein WARNER LAMBERT CO (US) 2005-08-10 CN claimed
WO-2005018622-A1 A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF OBESITY OR TO FACILITATE OR PROMOTE WEIGHT LOSS PFIZER PRODUCTS INC. (US) 2005-03-03 WO claimed
WO-2005018621-A1 A PHARMACEUTICAL COMPOSITION FOR THE PREVENTION AND TREATMENT OF ADDICTION IN A MAMMAL PFIZER PRODUCTS INC. (US) 2005-03-03 WO claimed
WO-2005018670-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN ALPHA2DELTA LIGAND AND AN OPIOID RECEPTOR ANTAGONIST FOR THE PREVENTION AND TREATMENT OF ADDICTION IN A MAMMAL PFIZER PRODUCTS INC. (US) 2005-03-03 WO claimed
US-20050043407-A1 Pharmaceutical composition for the prevention and treatment of addiction in a mammal PFIZER INC 2005-02-24 US claimed
US-20050043406-A1 Pharmaceutical composition for the treatment of obesity or to facilitate or promote weight loss PFIZER INC 2005-02-24 US claimed
US-20050043345-A1 Pharmaceutical composition for the prevention and treatment of addiction in a mammal PFIZER INC 2005-02-24 US claimed
EP-1492761-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN Warner-Lambert Company LLC (US) 2005-01-05 EP claimed
US-20030195251-A1 Amino acids with affinity for the alpha-2-delta-protein BARTA NANCY SUE (US) 2003-10-16 US claimed
WO-2003082807-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2003-10-09 WO claimed

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-20030195251-A1 Amino acids with affinity for the alpha-2-delta-protein SCN2A, OPRD1, CAMK2A S1PR2 3395/4885S1PR1 4348/4885SLC1A2 19/4885
US-20060154972-A1 Amino acids with affinity for the alpha-2-delta-protein SCN2A, OPRD1, SCN1A S1PR2 3482/4885S1PR1 4491/4885SLC1A2 31/4885
US-20060247282-A1 Methods for using amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A S1PR2 3566/4885S1PR1 4618/4885SLC1A2 29/4885

“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.