SCHEMBL2848937

SCHEMBL2848937

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

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALOX15 P16050 1/20 0.33
EP300 Q09472 1/20 0.33
HIF1A Q16665 1/20 0.33
CREBBP Q92793 1/20 0.33

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
Hydrochloric Acid SCHEMBL27548749 0.98 CYP1A2 (0.41) CYP1A2KDM4EALDH1A1TDP1ALOX15
SCHEMBL5042450 0.90 ALOX15 (0.35) CYP1A2ALOX15
SCHEMBL27469787 0.90 ALOX15 (0.35) CYP1A2ALOX15
Hydrochloric Acid SCHEMBL27471279 0.89 ALOX15 (0.34) CYP1A2ALOX15
SCHEMBL5042658 0.80 ALOX15 (0.33) KDM4EALOX15
SCHEMBL5042569 0.79 USP2 (0.36) CYP1A2ALDH1A1
SCHEMBL197847 0.77 ALDH1A1 (0.39) CYP1A2ALDH1A1
SCHEMBL28350691 0.75 FUCA1 (0.32) ALOX15
SCHEMBL5038657 0.75 FUCA1 (0.32) ALOX15
Hydrochloric Acid SCHEMBL3819339 0.75 ALDH1A1 (0.38) CYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007120485-A2 METHODS OF TREATING PAIN WITH ALKYLXANTHINES AND ANTIEPILEPTICS AND COMPOSITIONS FOR USE THEREFOR CINERGEN, LLC (US) 2007-10-25 WO claimed
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-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
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
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-1549302-A1 GASTROINTESTINAL COMPOSITIONS COMPRISING GABA DERIVATIVES Warner-Lambert Company LLC (US) 2005-07-06 EP claimed
CN-1626069-A Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of diabetic retinopathy WARNER LAMBERT CO (US) 2005-06-15 CN claimed
WO-2004006901-A1 GASTROINTESTINAL COMPOSITIONS COMPRISING GABA DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO claimed
US-20040010035-A1 Gastrointestinal compositions MCNEIL-PPC, INC 2004-01-15 US claimed
US-20040010034-A1 Gastrointestinal compositions WARNER-LAMBERT COMPANY 2004-01-15 US claimed
WO-2003104184-A1 METHODS FOR SYNTHESIS OF ACYLOXYALKYL DERIVATIVES OF GABA ANALOGS XENOPORT, INC. (US) 2003-12-18 WO claimed
CN-1344245-A Inhibitors of branched chain amino acid dependent aminotransferases and their use in the treatment of diabetic retinopathy WARNER LAMBER CO (US) 2002-04-10 CN 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 (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-20040010034-A1 Gastrointestinal compositions FABP2, SLC10A2, FABP6 CYP1A2 752/4885KDM4E 4537/4885ALDH1A1 1487/4885
US-20040010035-A1 Gastrointestinal compositions FABP2, SLC10A2, FABP6 CYP1A2 752/4885KDM4E 4537/4885ALDH1A1 1487/4885
US-20020032235-A1 Anti-inflammatory method GABRB2, GABRB1, GABRB3 CYP1A2 729/4885KDM4E 3731/4885ALDH1A1 854/4885

“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.