SCHEMBL27726

SCHEMBL27726

CC1CCCC(CN)(CC(=O)O)C1

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.81
USP2 O75604 1/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
TSHR P16473 1/20 0.58
BLM P54132 1/20 0.58
CACNA2D1 P54289 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HSD11B1 P28845 1/20 0.34
KMT2A Q03164 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
SCHEMBL6377387 1.00 CYP1A2 (0.81) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL2338208 1.00 CYP1A2 (0.81) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL7416439 1.00 CYP1A2 (0.81) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL3866042 1.00 CYP1A2 (0.81) CYP1A2USP2ALDH1A1LMNATSHR
Hydrochloric Acid SCHEMBL6376597 0.98 CYP1A2 (0.78) CYP1A2USP2ALDH1A1LMNATSHR
Hydrochloric Acid SCHEMBL6376591 0.98 CYP1A2 (0.78) CYP1A2USP2ALDH1A1LMNATSHR
Hydrochloric Acid SCHEMBL27548750 0.98 CYP1A2 (0.78) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL5441593 0.90 CYP1A2 (0.64) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL5434321 0.90 CYP1A2 (0.64) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL5436210 0.90 CYP1A2 (0.64) CYP1A2USP2ALDH1A1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4681116-B2 2011-05-11 JP claimed
US-20110039875-A1 PHARAMACEUTICAL COMPOSITIONS FOR TREATING CHRONIC PAIN AND PAIN ASSOCIATED WITH NEUROPATHY TRINITY LABORATORIES, INC. 2011-02-17 US claimed
EP-2184986-A2 PHARMACEUTICAL COMPOSITIONS FOR TREATING CHRONIC PAIN AND PAIN ASSOCIATED WITH NEUROPATHY Trinity Laboratories, Inc. (US) 2010-05-19 EP claimed
EP-1009399-B1 GABA ANALOGS TO PREVENT AND TREAT GASTROINTESTINAL DAMAGE WARNER LAMBERT CO (US) 2010-03-24 EP claimed
WO-2009021058-A2 PHARMACEUTICAL COMPOSITIONS FOR TREATING CHRONIC PAIN AND PAIN ASSOCIATED WITH NEUROPATHY TRINITY LABORTORIES, INC. (US) 2009-02-12 WO claimed
JP-4216713-B2 2009-01-28 JP claimed
US-7423169-B2 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs XENOPORT, INC. (US) 2008-09-09 US claimed
WO-2007120485-A2 METHODS OF TREATING PAIN WITH ALKYLXANTHINES AND ANTIEPILEPTICS AND COMPOSITIONS FOR USE THEREFOR CINERGEN, LLC (US) 2007-10-25 WO claimed
US-7232924-B2 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs XENOPORT, INC. (US) 2007-06-19 US claimed
JP-3884486-B2 2007-02-21 JP claimed
US-6127418-A USING, E.G. PREGABALAN, GAGAPENTIN, FOR A PATIENT WHO IS OR WILL RECEIVE NSAID THERAPY OR ALCOHOL ABUSE THERAPY; INFLAMMATORY BOWEL DISORDER; IRRITABLE BOWEL SYNDROME; CROHN'S DISEASE, ILEITIS, ISCHEMIC BOWEL DISEASE WARNER-LAMBERT COMPANY (US) 2000-10-03 US claimed
US-6103932-A USEFUL AS AGENTS IN THE TREATMENT OF EPILEPSY, FAINTNESS ATTACKS, HYPOKINESIA, CRANIAL DISORDERS, NEURODEGENERATIVE DISORDERS, DEPRESSION, ANXIETY, PANIC, PAIN, AND NEUROPATHOLOGICAL DISORDERS WARNER-LAMBERT COMPANY (US) 2000-08-15 US claimed
EP-1009399-A1 GABA ANALOGS TO PREVENT AND TREAT GASTROINTESTINAL DAMAGE WARNER-LAMBERT COMPANY LLC (US) 2000-06-21 EP 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
EP-0974351-A2 Medicament for preventing and treating gastrointestinal damage JOUVEINAL (FR) 2000-01-26 EP claimed
WO-1999008671-A1 GABA ANALOGS TO PREVENT AND TREAT GASTROINTESTINAL DAMAGE WARNER-LAMBERT COMPANY (US) 1999-02-25 WO claimed
WO-1999008670-A1 GABA ANALOGS TO PREVENT AND TREAT GASTROINTESTINAL DAMAGE GUGLIETTA, ANTONIO 1999-02-25 WO claimed
EP-0888286-A1 NOVEL SUBSTITUTED CYCLIC AMINO ACIDS AS PHARMACEUTICAL AGENTS WARNER-LAMBERT COMPANY (US) 1999-01-07 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
WO-1997033858-A1 NOVEL SUBSTITUTED CYCLIC AMINO ACIDS AS PHARMACEUTICAL AGENTS WARNER-LAMBERT COMPANY (US) 1997-09-18 WO claimed