SCHEMBL25682

SCHEMBL25682

NCC(CC(=O)O)CC1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
CACNA2D1 P54289 2/20 0.46
CACNB3 P54284 1/20 0.46
CACNA1C Q13936 1/20 0.46
PGR P06401 1/20 0.46
ADRA1A P35348 1/20 0.46
HTR2B P41595 1/20 0.46
CACNA2D2 Q9NY47 1/20 0.46
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39
GABRR1 P24046 2/20 0.39
LMNA P02545 1/20 0.39
CYP2D6 P10635 1/20 0.37
ANPEP P15144 1/20 0.36
ENPEP Q07075 1/20 0.36
DPP4 P27487 1/20 0.36
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 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
SCHEMBL561172 0.98 ALDH1A1 (0.53) ALDH1A1CACNA2D1CACNB3CACNA1CPGR
Hydrochloric Acid SCHEMBL8498469 0.96 ALDH1A1 (0.51) ALDH1A1CACNA2D1CACNB3CACNA1CPGR
SCHEMBL25592 0.96 ALDH1A1 (0.46) ALDH1A1CACNA2D1CACNB3CACNA1CPGR
Hydrochloric Acid SCHEMBL5493065 0.94 ALDH1A1 (0.44) ALDH1A1CACNA2D1CACNB3CACNA1CPGR
SCHEMBL5492741 0.92 CACNA2D1 (0.48) ALDH1A1CACNA2D1CACNB3CACNA1CPGR
SCHEMBL1913767 0.83 CACNA2D1 (0.54) ALDH1A1CACNA2D1CACNB3CACNA1CPGR
SCHEMBL3116965 0.83 CACNA2D1 (0.54) ALDH1A1CACNA2D1CACNB3CACNA1CPGR
SCHEMBL3114901 0.83 CACNA2D1 (0.54) ALDH1A1CACNA2D1CACNB3CACNA1CPGR
SCHEMBL21195173 0.82 CACNA2D1 (0.53) ALDH1A1CACNA2D1CACNB3CACNA1CPGR
SCHEMBL3117831 0.82 CACNA2D1 (0.53) ALDH1A1CACNA2D1CACNB3CACNA1CPGR

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 73 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
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-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
US-20040014940-A1 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs XENOPORT, INC. 2004-01-22 US claimed
WO-2003104184-A1 METHODS FOR SYNTHESIS OF ACYLOXYALKYL DERIVATIVES OF GABA ANALOGS XENOPORT, INC. (US) 2003-12-18 WO claimed
US-20030176398-A1 Prodrugs of GABA analogs, compositions and uses thereof HPS INVESTMENT PARTNERS, LLC, AS ADMINISTRATIVE AGENT 2003-09-18 US claimed
US-20160090353-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2016-03-31 US disclosed
US-9238616-B2 Prodrugs of gaba analogs, compositions and uses thereof XENOPORT, INC. (US) 2016-01-19 US disclosed
US-20150307442-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF ARBOR PHARMACEUTICALS, LLC 2015-10-29 US disclosed
US-20130102641-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2013-04-25 US disclosed
US-8367722-B2 Methods of using prodrugs of pregabalin XENOPORT, INC. (US) 2013-02-05 US disclosed
US-20040006132-A1 Prodrugs of gaba analogs, compositions and uses thereof ARBOR PHARMACEUTICALS, LLC 2004-01-08 US disclosed
WO-2003104184-A1 METHODS FOR SYNTHESIS OF ACYLOXYALKYL DERIVATIVES OF GABA ANALOGS XENOPORT, INC. (US) 2003-12-18 WO disclosed
US-20030176398-A1 Prodrugs of GABA analogs, compositions and uses thereof HPS INVESTMENT PARTNERS, LLC, AS ADMINISTRATIVE AGENT 2003-09-18 US disclosed
US-20030083382-A1 Orally administered dosage forms of GABA analog prodrugs having reduced toxicity ARBOR PHARMACEUTICALS, LLC 2003-05-01 US disclosed
WO-2002100347-A2 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2002-12-19 WO disclosed
WO-2002100392-A1 ORALLY ADMINISTERED DOSAGE FORMS OF GABA ANALOG PRODRUGS HAVING REDUCED TOXICITY XENOPORT, INC. (US) 2002-12-19 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 (8 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-20160090353-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885CACNA2D1 1437/4885CACNB3 309/4885
US-20040014940-A1 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs GABRB1, GABRB3, GABBR1 ALDH1A1 495/4885CACNA2D1 425/4885CACNB3 62/4885
US-20150307442-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885CACNA2D1 1437/4885CACNB3 309/4885
US-20060287250-A1 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs GABRB1, GABRB3, GABBR1 ALDH1A1 495/4885CACNA2D1 425/4885CACNB3 62/4885
US-20040006132-A1 Prodrugs of gaba analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885CACNA2D1 1437/4885CACNB3 309/4885
US-20130102641-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885CACNA2D1 1437/4885CACNB3 309/4885
US-20030083382-A1 Orally administered dosage forms of GABA analog prodrugs having reduced toxicity GABRB1, GABRB2, GABRB3 ALDH1A1 37/4885CACNA2D1 1110/4885CACNB3 373/4885
US-20030176398-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885CACNA2D1 1437/4885CACNB3 309/4885

“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.