SCHEMBL466234

SCHEMBL466234

CC(C)CC(CCN)CC(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.70
CACNB3 P54284 1/20 0.70
CACNA1C Q13936 1/20 0.70
PGR P06401 1/20 0.70
ADRA1A P35348 1/20 0.70
HTR2B P41595 1/20 0.70
CACNA2D2 Q9NY47 1/20 0.70
GABRR1 P24046 4/20 0.45
SLC7A5 Q01650 1/20 0.40
LMNA P02545 1/20 0.37
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRB2 P47870 2/20 0.35

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
SCHEMBL20381085 1.00 CACNA2D1 (0.70) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL5917733 1.00 CACNA2D1 (0.70) CACNA2D1CACNB3CACNA1CPGRADRA1A
Pregabalin SCHEMBL8227 0.83 CACNA2D1 (1.00) CACNA2D1CACNB3CACNA1CPGRADRA1A
Pregabalin SCHEMBL27754092 0.83 CACNA2D1 (1.00) CACNA2D1CACNB3CACNA1CPGRADRA1A
Pregabalin SCHEMBL1561104 0.83 CACNA2D1 (1.00) CACNA2D1CACNB3CACNA1CPGRADRA1A
Pregabalin SCHEMBL2370227 0.83 CACNA2D1 (1.00) CACNA2D1CACNB3CACNA1CPGRADRA1A
Pregabalin SCHEMBL15497 0.83 CACNA2D1 (1.00) CACNA2D1CACNB3CACNA1CPGRADRA1A
Pregabalin SCHEMBL263450 0.83 CACNA2D1 (1.00) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL5187943 0.82 CACNA2D1 (0.48) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL4412290 0.82 CACNA2D1 (0.74) CACNA2D1CACNB3CACNA1CPGRADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4681116-B2 2011-05-11 JP claimed
JP-3884486-B2 2007-02-21 JP claimed
EP-1549302-A1 GASTROINTESTINAL COMPOSITIONS COMPRISING GABA DERIVATIVES Warner-Lambert Company LLC (US) 2005-07-06 EP claimed
EP-1515709-A2 USE OF AN ALPHA2DELTA LIGAND SUCH AS GABAPENTIN OR PREGABALIN FOR TREATING ATTENTION DEFICIT HYPERACTIVITY DISORDER Warner-Lambert Company LLC (US) 2005-03-23 EP claimed
WO-2004006901-A1 GASTROINTESTINAL COMPOSITIONS COMPRISING GABA DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO claimed
WO-2004002462-A2 USE OF AN ALPHA2DELTA LIGAND SUCH AS GABAPENTIN OR PREGABALIN FOR TREATING TTENTION DEFICIT HYPERACTIVITY DISORDER WARNER-LAMBERT COMPANY LLC (US) 2004-01-08 WO claimed
JP-2002506449-A 2002-02-26 JP 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
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
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
CN-116322664-A Method of neuroprotection and uses thereof 欧库罗治疗有限责任公司 2023-06-23 CN disclosed
US-9422230-B2 Process for the preparation of an anticonvulsant agent pregabalin hydrochloride COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-08-23 US disclosed
US-20160122289-A1 PROCESS FOR THE PREPARATION OF AN ANTICONVULSANT AGENT PREGABALIN HYDROCHLORIDE COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-05-05 US disclosed
EP-2405754-A1 MODIFIED RELEASE PHARMACEUTICAL COMPOSITIONS OF BUPRENORPHINE Theraquest Biosciences, Inc. (US) 2012-01-18 EP disclosed
WO-2000053225-A1 ANALGESIC COMPOSITIONS COMPRISING ANTI-EPILEPTIC COMPOUNDS AND METHODS OF USING SAME WARNER-LAMBERT COMPANY (US) 2000-09-14 WO disclosed
EP-1009399-A1 GABA ANALOGS TO PREVENT AND TREAT GASTROINTESTINAL DAMAGE WARNER-LAMBERT COMPANY LLC (US) 2000-06-21 EP disclosed
WO-1999008671-A1 GABA ANALOGS TO PREVENT AND TREAT GASTROINTESTINAL DAMAGE WARNER-LAMBERT COMPANY (US) 1999-02-25 WO disclosed
WO-1999008670-A1 GABA ANALOGS TO PREVENT AND TREAT GASTROINTESTINAL DAMAGE GUGLIETTA, ANTONIO 1999-02-25 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 (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-20160122289-A1 PROCESS FOR THE PREPARATION OF AN ANTICONVULSANT AGENT PREGABALIN HYDROCHLORIDE GABRE, GABRG1, GABRB2 CACNA2D1 95/4885CACNB3 129/4885CACNA1C 49/4885

“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.