SCHEMBL39271

SCHEMBL39271

CC(CCCCN)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.70
LTA4H P09960 1/20 0.59
GSR P00390 1/20 0.58
RNPEP Q9H4A4 1/20 0.56
BLM P54132 1/20 0.54
CPB2 Q96IY4 5/20 0.50
CYP1A2 P05177 1/20 0.50
ACE2 Q9BYF1 1/20 0.50
FOLH1 Q04609 1/20 0.43
CYP2D6 P10635 1/20 0.42
NFKB1 P19838 1/20 0.42
TBXAS1 P24557 1/20 0.42

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
SCHEMBL12173395 1.00 GABRR1 (0.70) GABRR1LTA4HGSRRNPEPBLM
SCHEMBL17974330 1.00 GABRR1 (0.70) GABRR1LTA4HGSRRNPEPBLM
SCHEMBL4017002 0.98 GABRR1 (0.67) GABRR1LTA4HGSRRNPEPBLM
SCHEMBL1882487 0.98 GABRR1 (0.67) GABRR1LTA4HGSRRNPEPBLM
SCHEMBL3680852 0.98 GABRR1 (0.67) GABRR1LTA4HGSRRNPEPBLM
SCHEMBL1872640 0.98 GABRR1 (0.67) GABRR1LTA4HGSRRNPEPBLM
Hydrochloric Acid SCHEMBL2328044 0.98 GABRR1 (0.67) GABRR1LTA4HGSRRNPEPBLM
SCHEMBL4020912 0.98 GABRR1 (0.67) GABRR1LTA4HGSRRNPEPBLM
SCHEMBL10869353 0.98 GABRR1 (0.67) GABRR1LTA4HGSRRNPEPBLM
SCHEMBL1881586 0.98 GABRR1 (0.67) GABRR1LTA4HGSRRNPEPBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7309719-B1 Storage stability; gabapentin and pregabalin, and neutral alpha -amino acid WARNER LAMBERT COMPANY, LLC (US) 2007-12-18 US claimed
EP-1077692-B1 AMINO ACID STABILIZED GABAPENTIN AND PREGABALIN PREPARATIONS AND PROCESS FOR PREPARING THE SAME WARNER LAMBERT CO (US) 2004-07-28 EP claimed
WO-1999059573-A9 STABILIZED PHARMACEUTICAL PREPARATIONS OF GAMMA-AMINOBUTYRIC ACID DERIVATIVES AND PROCESS FOR PREPARING THE SAME WARNER LAMBERT CO (US) 2000-05-04 WO claimed
US-6433166-B1 None US disclosed
US-20250051577-A1 SULFORHODAMINE PHOSPHORAMIDITE DYES CEPHEID (US) 2025-02-13 US disclosed
US-12071547-B2 Sulforhodamine phosphoramidite dyes CEPHEID (US) 2024-08-27 US disclosed
US-11931328-B2 Stabilized formulations of 4-amino-3-substituted butanoic acid derivatives AMNEAL PHARMACEUTICALS LLC (US) 2024-03-19 US disclosed
US-20240082193-A1 BACLOFEN FORMULATIONS AND METHODS OF MINIMIZING PATIENT EXPOSURE TO METABOLITE VARIATIONS AMNEAL PHARMACEUTICALS LLC (US) 2024-03-14 US disclosed
US-20240067824-A1 SULFORHODAMINE PHOSPHORAMIDITE DYES CEPHEID 2024-02-29 US disclosed
US-11850225-B2 Baclofen formulations and methods of minimizing patient exposure to metabolite variations AMNEAL PHARMACEUTICALS LLC (US) 2023-12-26 US disclosed
EP-3790931-B1 SULFORHODAMINE PHOSPHORAMIDITE DYES CEPHEID (US) 2023-09-27 EP disclosed
EP-1054864-A1 PROCESS FOR THE PREPARATION OF EPSILON-CAPROLACTAM DSM N.V. (NL) 2000-11-29 EP disclosed
WO-1999042440-A1 PROCESS FOR THE PREPARATION OF ε-CAPROLACTAM DSM N.V. (NL) 1999-08-26 WO disclosed
EP-0937712-A1 Process for the preparation of E-caprolactam DSM N.V. (NL) 1999-08-25 EP disclosed
US-5700934-A REACTING 5-FORMYLVALERATE ESTER WITH AMMONIA, HYDROGENATING PRODUCT IN PRESENCE OF HYDROGENATION CATALYST AND AMMONIA DSM N.V. (NL) 1997-12-23 US disclosed
EP-0729944-A2 Process for the preparation of epsilon-caprolactam DSM N.V. (NL) 1996-09-04 EP disclosed
EP-0729943-A2 Process for the preparation of epsilon-caprolactam and epsilon-caprolactam precursors DSM N.V. (NL) 1996-09-04 EP disclosed
US-5518735-A ANTICOAGULANTS ADMINISTERED BY MOUTH PENTAPHARM AG (CH) 1996-05-21 US disclosed
US-5082942-A NOVEL DERIVATIVES OF TETRAHYDRO-2,3,6,7,1H,5H,11H-(1)BENZOPYRANO(6,7,8,IJ)QUINOLIZINONE-11 USABLE AS MARKERS OF ORGANIC COMPOUNDS FOR THE DETECTION OF SAID COMPOUNDS BY CHEMILUMINESCENCE OR FLUORESCENCE LABORATORIES EUROBIO (FR) 1992-01-21 US disclosed
EP-0186083-A2 N-(2-Hyxdroxyalkyl)-amino acids and their derivatives, process for their preparation and pharmaceutical compositions containing them ASTA Pharma AG (DE) 1986-07-02 EP 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-20240082193-A1 BACLOFEN FORMULATIONS AND METHODS OF MINIMIZING PATIENT EXPOSURE TO METABOLITE VARIATIONS GABRB1, GABRB2, GABBR1 GABRR1 22/4885LTA4H 1349/4885GSR 1890/4885
US-11931328-B2 Stabilized formulations of 4-amino-3-substituted butanoic acid derivatives GABRA6, GABBR1, GABBR2 GABRR1 29/4885LTA4H 344/4885GSR 3666/4885
US-11850225-B2 Baclofen formulations and methods of minimizing patient exposure to metabolite variations GABRB1, GABRB2, GABBR1 GABRR1 22/4885LTA4H 1382/4885GSR 1840/4885

“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.