SCHEMBL5042450

SCHEMBL5042450

CC(=O)OC1(CN)CCC(C)C1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.35
CYP1A2 P05177 1/20 0.34

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
SCHEMBL27469787 1.00 ALOX15 (0.35) ALOX15CYP1A2
Hydrochloric Acid SCHEMBL27471279 0.98 ALOX15 (0.34) ALOX15CYP1A2
SCHEMBL2848937 0.90 CYP1A2 (0.42) ALOX15CYP1A2
SCHEMBL5042658 0.89 ALOX15 (0.33) ALOX15
Hydrochloric Acid SCHEMBL27548749 0.89 CYP1A2 (0.41) ALOX15CYP1A2
SCHEMBL5966267 0.79 CYP1A2 (0.38) ALOX15CYP1A2
SCHEMBL5038657 0.78 FUCA1 (0.32) ALOX15
SCHEMBL28350691 0.78 FUCA1 (0.32) ALOX15
SCHEMBL27484975 0.78 FUCA1 (0.32) ALOX15
SCHEMBL27554173 0.76 KDM4E (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3884486-B2 2007-02-21 JP claimed
EP-1554237-A4 METHODS FOR SYNTHESIS OF ACYLOXYALKYL DERIVATIVES OF GABA ANALOGS XENOPORT INC (US) 2006-11-02 EP claimed
EP-1658059-A1 A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF OBESITY OR TO FACILITATE OR PROMOTE WEIGHT LOSS Pfizer Products Inc. (US) 2006-05-24 EP 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-1675165-A Method for synthesizing acyloxyalkyl derivatives of GABA analogs XENOPORT INC (US) 2005-09-28 CN claimed
EP-1554237-A1 METHODS FOR SYNTHESIS OF ACYLOXYALKYL DERIVATIVES OF GABA ANALOGS Xenoport, Inc. (US) 2005-07-20 EP claimed
EP-0994704-B1 USE OF GABA ANALOGS SUCH AS GABAPENTIN IN THE MANUFACTURE OF A MEDICAMENT FOR TREATING INFLAMMATORY DISEASES WARNER LAMBERT CO (US) 2005-06-15 EP 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
WO-2003104184-A1 METHODS FOR SYNTHESIS OF ACYLOXYALKYL DERIVATIVES OF GABA ANALOGS XENOPORT, INC. (US) 2003-12-18 WO claimed
US-20020032235-A1 Anti-inflammatory method SCHRIER DENIS (US) 2002-03-14 US claimed
JP-2002506449-A 2002-02-26 JP claimed
US-6329429-B1 ADMINISTERING ANTI-INFLAMMATORY COMPOUND COMPRISING CYCLIC AMINO ACID OR ITS DERIVATIVE TO THERAPY WARNER-LAMBERT COMPANY 2001-12-11 US claimed
EP-0994704-A1 USE OF GABA ANALOGS SUCH AS GABAPENTIN IN THE MANUFACTURE OF A MEDICAMENT FOR TREATING INFLAMMATORY DISEASES WARNER-LAMBERT COMPANY (US) 2000-04-26 EP claimed
WO-1998058641-A1 USE OF GABA ANALOGS SUCH AS GABAPENTIN IN THE MANUFACTURE OF A MEDICAMENT FOR TREATING INFLAMMATORY DISEASES WARNER-LAMBERT COMPANY (US) 1998-12-30 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 (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-20020032235-A1 Anti-inflammatory method GABRB2, GABRB1, GABRB3 ALOX15 195/4885CYP1A2 729/4885

“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.