SCHEMBL4168904

SCHEMBL4168904

NCC(CC(=O)O)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 2/20 0.56
CPA3 P15088 2/20 0.56
CPB1 P15086 1/20 0.56
CPB2 Q96IY4 1/20 0.56
GABBR2 O75899 1/20 0.52
GABBR1 Q9UBS5 1/20 0.52
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
XIAP P98170 1/20 0.50
SLC7A5 Q01650 1/20 0.50
CYP1A2 P05177 1/20 0.48
MIF P14174 1/20 0.47
SLC15A1 P46059 1/20 0.47
SRR Q9GZT4 2/20 0.46
EPHX1 P07099 1/20 0.46
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
CACNA2D1 P54289 2/20 0.46

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
SCHEMBL6176552 0.88 CPA3 (0.64) CPA1CPA3CPB1CPB2ALPI
SCHEMBL11460484 0.88 CPA3 (0.64) CPA1CPA3CPB1CPB2ALPI
SCHEMBL17627875 0.87 CACNA2D1 (0.50) CPA1CPA3CPB1CPB2GABBR2
SCHEMBL23750377 0.85 ALPI (0.52) CPA1CPA3CPB1CPB2ALPI
SCHEMBL763137 0.85 CACNA2D1 (0.43) CPA1CPA3CPB1CPB2GABBR2
SCHEMBL23750198 0.85 ALPI (0.52) CPA1CPA3CPB1CPB2ALPI
SCHEMBL1914050 0.83 CACNA2D1 (0.54) CPA1CPA3CPB1CPB2GABBR2
SCHEMBL1913850 0.83 CACNA2D1 (0.54) CPA1CPA3CPB1CPB2GABBR2
SCHEMBL7413267 0.83 CACNA2D1 (0.54) CPA1CPA3CPB1CPB2GABBR2
SCHEMBL7297804 0.82 CPA3 (0.58) CPA1CPA3CPB1CPB2ALPI

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156677-A1 Gabapentin-containing Solid Compositions and Process for Preparing the Same PFIZER INC 2009-06-18 US claimed
EP-1077692-A1 AMINO ACID STABILIZED GABAPENTIN AND PREGABALIN PREPARATIONS AND PROCESS FOR PREPARING THE SAME Warner-Lambert Company LLC (US) 2001-02-28 EP claimed
EP-1077691-A1 GAMMA-AMINOBUTYRIC ACID DERIVATIVES CONTAINING, SOLID COMPOSITIONS AND PROCESS FOR PREPARING THE SAME WARNER-LAMBERT COMPANY (US) 2001-02-28 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
WO-1999059573-A1 STABILIZED PHARMACEUTICAL PREPARATIONS OF GAMMA-AMINOBUTYRIC ACID DERIVATIVES AND PROCESS FOR PREPARING THE SAME WARNER-LAMBERT COMPANY (US) 1999-11-25 WO claimed
WO-1999059572-A1 GAMMA-AMINOBUTYRIC ACID DERIVATIVES CONTAINING, SOLID COMPOSITIONS AND PROCESS FOR PREPARING THE SAME WARNER-LAMBERT COMPANY (US) 1999-11-25 WO claimed
US-8623407-B2 Gabapentin-containing solid compositions and process for preparing the same PFIZER INC. (US) 2014-01-07 US disclosed
US-7714157-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-11 US disclosed
US-20090156677-A1 Gabapentin-containing Solid Compositions and Process for Preparing the Same PFIZER INC 2009-06-18 US disclosed
CN-101365470-A Compositions and methods for treating diabetes DIA B TECH LTD (AU) 2009-02-11 CN disclosed
EP-1077691-B1 GAMMA-AMINOBUTYRIC ACID DERIVATIVES CONTAINING, SOLID COMPOSITIONS AND PROCESS FOR PREPARING THE SAME WARNER LAMBERT CO (US) 2008-09-10 EP disclosed
US-7309719-B1 Storage stability; gabapentin and pregabalin, and neutral alpha -amino acid WARNER LAMBERT COMPANY, LLC (US) 2007-12-18 US disclosed
US-20070270603-A1 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2007-11-22 US disclosed
US-7271280-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-09-18 US disclosed
EP-1077692-A1 AMINO ACID STABILIZED GABAPENTIN AND PREGABALIN PREPARATIONS AND PROCESS FOR PREPARING THE SAME Warner-Lambert Company LLC (US) 2001-02-28 EP disclosed
EP-1077691-A1 GAMMA-AMINOBUTYRIC ACID DERIVATIVES CONTAINING, SOLID COMPOSITIONS AND PROCESS FOR PREPARING THE SAME WARNER-LAMBERT COMPANY (US) 2001-02-28 EP disclosed
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 disclosed
WO-1999059573-A1 STABILIZED PHARMACEUTICAL PREPARATIONS OF GAMMA-AMINOBUTYRIC ACID DERIVATIVES AND PROCESS FOR PREPARING THE SAME WARNER-LAMBERT COMPANY (US) 1999-11-25 WO disclosed
WO-1999059572-A1 GAMMA-AMINOBUTYRIC ACID DERIVATIVES CONTAINING, SOLID COMPOSITIONS AND PROCESS FOR PREPARING THE SAME WARNER-LAMBERT COMPANY (US) 1999-11-25 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 (2 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-20090156677-A1 Gabapentin-containing Solid Compositions and Process for Preparing the Same GABRD, GABRA6, GABRB1 CPA1 4029/4885CPA3 3213/4885CPB1 4194/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CPA1 4650/4885CPA3 2684/4885CPB1 3298/4885

“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.