SCHEMBL24925

SCHEMBL24925

NCC(CCc1ccccc1)CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 4/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP13 P45452 1/20 0.50
MMP14 P50281 1/20 0.50
GABBR2 O75899 1/20 0.49
GABBR1 Q9UBS5 1/20 0.49
KEAP1 Q14145 1/20 0.47
ANPEP P15144 2/20 0.46
ERAP1 Q9NZ08 2/20 0.46
ERAP2 Q6P179 1/20 0.46
CPA1 P15085 2/20 0.44
CPB1 P15086 1/20 0.44
CPA3 P15088 1/20 0.44
CPB2 Q96IY4 1/20 0.44
HDAC3 O15379 1/20 0.44
MAPK1 P28482 1/20 0.44
ADRA1A P35348 1/20 0.44
HDAC4 P56524 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL18065715 0.89 MMP12 (0.56) MMP12MMP2MMP9MMP13MMP14
SCHEMBL3118021 0.84 CACNA2D1 (0.51) MMP12MMP2MMP9MMP13MMP14
SCHEMBL1913520 0.84 CACNA2D1 (0.51) MMP12MMP2MMP9MMP13MMP14
SCHEMBL10488291 0.84 MMP12 (0.51) MMP12MMP2MMP9MMP13MMP14
SCHEMBL11517258 0.82 HTR2A (0.54) ANPEPERAP1ERAP2ADRA1ASMN1; SMN2
SCHEMBL19285618 0.82 HTR2A (0.54) ANPEPERAP1ERAP2ADRA1ASMN1; SMN2
SCHEMBL7195674 0.82 MMP12 (0.50) MMP12MMP2MMP9MMP13MMP14
SCHEMBL5237256 0.82 MMP12 (0.50) MMP12MMP2MMP9MMP13MMP14
SCHEMBL4168904 0.81 CPA1 (0.56) GABBR2GABBR1KEAP1CPA1CPB1
SCHEMBL4076046 0.81 MMP12 (0.49) MMP12MMP2MMP9MMP13MMP14

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 98 patents — showing the first 20. 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
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
US-7232924-B2 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs XENOPORT, INC. (US) 2007-06-19 US claimed
EP-0937032-B1 SUBSTITUTED GAMMA AMINOBUTYRIC ACIDS AS PHARMACEUTICAL AGENTS WARNER LAMBERT CO (US) 2007-05-09 EP claimed
US-20060287250-A1 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs XENOPORT, INC. 2006-12-21 US claimed
EP-1554237-A4 METHODS FOR SYNTHESIS OF ACYLOXYALKYL DERIVATIVES OF GABA ANALOGS XENOPORT INC (US) 2006-11-02 EP claimed
CN-1675165-A Method for synthesizing acyloxyalkyl derivatives of GABA analogs XENOPORT INC (US) 2005-09-28 CN claimed
EP-1554237-A1 METHODS FOR SYNTHESIS OF ACYLOXYALKYL DERIVATIVES OF GABA ANALOGS Xenoport, Inc. (US) 2005-07-20 EP claimed
EP-1404324-A4 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT INC (US) 2004-12-22 EP claimed
US-20030176398-A1 Prodrugs of GABA analogs, compositions and uses thereof HPS INVESTMENT PARTNERS, LLC, AS ADMINISTRATIVE AGENT 2003-09-18 US claimed
WO-2002100347-A2 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2002-12-19 WO 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
US-6153650-A TREATMENT OF EPILEPSY, FAINTNESS ATTACKS, HYPOKINESIA, CRANIAL DISORDERS, NEURODEGENERATIVE DISORDERS, DEPRESSION, ANXIETY, PANIC, PAIN, NEUROPATHOLOGICAL DISORDERS, INFLAMMATION, AND GASTROINTESTINAL DAMAGE. WARNER-LAMBERT COMPANY (US) 2000-11-28 US 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
EP-0937032-A1 SUBSTITUTED GAMMA AMINOBUTYRIC ACIDS AS PHARMACEUTICAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 1999-08-25 EP claimed
WO-1998017627-A1 SUBSTITUTED GAMMA AMINOBUTYRIC ACIDS AS PHARMACEUTICAL AGENTS WARNER-LAMBERT COMPANY (US) 1998-04-30 WO claimed

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-20090156677-A1 Gabapentin-containing Solid Compositions and Process for Preparing the Same GABRD, GABRA6, GABRB1 MMP12 4794/4885MMP2 4213/4885MMP9 4749/4885
US-20060287250-A1 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs GABRB1, GABRB3, GABBR1 MMP12 4805/4885MMP2 4448/4885MMP9 4563/4885
US-20030176398-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 MMP12 4345/4885MMP2 4260/4885MMP9 2926/4885

“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.