Gababutin

Gababutin

SCHEMBL25615

NCC1(CC(=O)O)CCCC1

nearest known ligand 0.95

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.95
CYP1A2 P05177 2/20 0.95
USP2 O75604 2/20 0.95
LMNA P02545 1/20 0.95
TSHR P16473 1/20 0.95
BLM P54132 1/20 0.95
CACNA2D1 P54289 1/20 0.95
SMN1; SMN2 Q16637 1/20 0.95
CYP2C19 P33261 1/20 0.46
HSD11B1 P28845 1/20 0.42
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
GAA P10253 1/20 0.39
HPGD P15428 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
SCHEMBL466183 0.98 CYP1A2 (1.00) ALDH1A1CYP1A2USP2LMNATSHR
Gababutin SCHEMBL2858085 0.98 ALDH1A1 (0.91) ALDH1A1CYP1A2USP2LMNATSHR
Gabapentin SCHEMBL8343 0.98 CYP1A2 (1.00) ALDH1A1CYP1A2USP2LMNATSHR
Gabapentin SCHEMBL4030100 0.98 CYP1A2 (1.00) ALDH1A1CYP1A2USP2LMNATSHR
Gabapentin SCHEMBL179836 0.98 CYP1A2 (1.00) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL6544499 0.98 CYP1A2 (1.00) ALDH1A1CYP1A2USP2LMNATSHR
Gabapentin SCHEMBL26730 0.96 CYP1A2 (0.96) ALDH1A1CYP1A2USP2LMNATSHR
Gabapentin SCHEMBL6689206 0.96 CYP1A2 (0.96) ALDH1A1CYP1A2USP2LMNATSHR
Gabapentin SCHEMBL19031792 0.96 CYP1A2 (0.96) ALDH1A1CYP1A2USP2LMNATSHR
Gabapentin SCHEMBL6672099 0.96 CYP1A2 (0.96) ALDH1A1CYP1A2USP2LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20060287250-A1 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs XENOPORT, INC. 2006-12-21 US claimed
EP-1157000-B1 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF DIABETIC RETINOPATHY WARNER LAMBERT CO (US) 2005-11-02 EP claimed
CN-1675165-A Method for synthesizing acyloxyalkyl derivatives of GABA analogs XENOPORT INC (US) 2005-09-28 CN claimed
US-20040014940-A1 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs XENOPORT, INC. 2004-01-22 US claimed
US-20030176398-A1 Prodrugs of GABA analogs, compositions and uses thereof HPS INVESTMENT PARTNERS, LLC, AS ADMINISTRATIVE AGENT 2003-09-18 US claimed
EP-1157000-A1 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF DIABETIC RETINOPATHY WARNER-LAMBERT COMPANY (US) 2001-11-28 EP claimed
WO-2001042191-A1 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF DIABETIC RETINOPATHY WARNER-LAMBERT COMPANY (US) 2001-06-14 WO claimed
EP-0552240-B1 NEW METHOD OF TREATING DEPRESSION WARNER LAMBERT CO (US) 1998-03-18 EP claimed
EP-0446570-B1 Gabapentin and its derivatives for treating neurodegenerative diseases WARNER LAMBERT CO (US) 1995-08-02 EP claimed
EP-0458751-A1 Delivery system for cyclic amino acids with improved taste, texture and compressibility WARNER-LAMBERT COMPANY (US) 1991-11-27 EP claimed
US-4087544-A Treatment of cranial dysfunctions using novel cyclic amino acids WARNER-LAMBERT COMPANY (US) 1978-05-02 US claimed
US-4024175-A Cyclic amino acids WARNER-LAMBERT COMPANY (US) 1977-05-17 US claimed
WO-2024137742-A1 COMPOUNDS AND COMPOSITIONS AS FGFR3 DEGRADERS AND USES THEREOF BLUEPRINT MEDICINES CORPORATION (US) 2024-06-27 WO disclosed
CN-114929681-B Bicyclic CX3CR1 receptor agonists 德州大学系统董事会 2024-05-14 CN disclosed
US-5025035-A Administering antidepressants WARNER-LAMBERT COMPANY (US) 1991-06-18 US disclosed
US-4087544-A Treatment of cranial dysfunctions using novel cyclic amino acids WARNER-LAMBERT COMPANY (US) 1978-05-02 US disclosed
US-4024175-A Cyclic amino acids WARNER-LAMBERT COMPANY (US) 1977-05-17 US 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 (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-20040014940-A1 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs GABRB1, GABRB3, GABBR1 ALDH1A1 495/4885CYP1A2 1323/4885USP2 1225/4885
US-20060287250-A1 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs GABRB1, GABRB3, GABBR1 ALDH1A1 495/4885CYP1A2 1323/4885USP2 1225/4885
US-20030176398-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885CYP1A2 135/4885USP2 1727/4885

“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.