SCHEMBL25400

SCHEMBL25400

CCCC(OC(=O)NCC1(CC(=O)O)CCCCC1)OC(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 5/20 0.36
HPGD P15428 2/20 0.36
CTSK P43235 2/20 0.36
USP2 O75604 1/20 0.36
EGLN2 Q96KS0 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
SLC18A2 Q05940 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL27055 0.87 CYP2D6 (0.40) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL25513 0.85 CYP2D6 (0.43) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL25920 0.83 ALDH1A1 (0.37) LMNACYP1A2GAAALDH1A1HPGD
SCHEMBL612593 0.83 ALDH1A1 (0.37) LMNACYP1A2GAAALDH1A1HPGD
SCHEMBL25845 0.83 CYP2D6 (0.41) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL4757553 0.82 CTSK (0.39) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL26218 0.82 SLC18A2 (0.36) LMNACYP1A2GAAALDH1A1HPGD
SCHEMBL25331 0.82 GAA (0.39) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL26475 0.81 ALDH1A1 (0.35) LMNACYP1A2ALDH1A1USP2EGLN2
SCHEMBL598340 0.81 ALDH1A1 (0.35) LMNACYP1A2ALDH1A1USP2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-101434572-B Prodrugs of GABA analogs, compositions and uses thereof XENOPORT INC 2013-03-13 CN disclosed
US-8367722-B2 Methods of using prodrugs of pregabalin XENOPORT, INC. (US) 2013-02-05 US disclosed
US-8168623-B2 Prodrugs of GABA analogs, compositions and uses thereof XENOPORT, INC. (US) 2012-05-01 US disclosed
US-8143437-B2 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof XENOPORT, INC. (US) 2012-03-27 US disclosed
CN-101381339-B Prodrugs of gaba analogs, compositions and uses thereof XENOPORT INC 2012-03-07 CN disclosed
US-20120035258-A1 METHODS OF USING PRODRUGS OF PREGABALIN XENOPORT, INC. (US) 2012-02-09 US disclosed
US-20060229361-A1 Prodrugs of GABA analogs, compositions and uses thereof XENOPORT, INC. 2006-10-12 US disclosed
CN-1753673-A Prodrugs of gaba analogs, compositions and uses thereof XENOPORT INC (US) 2006-03-29 CN disclosed
US-6972341-B2 Prodrugs of GABA analogs, compositions and uses thereof XENO PORT, INC. (US) 2005-12-06 US disclosed
US-20050239725-A1 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof XENOPORT, INC. 2005-10-27 US disclosed
US-6927036-B2 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof XERO PORT, INC. (US) 2005-08-09 US disclosed
US-6818787-B2 FOR THERAPY AND PROPHYLAXIS OF EPILEPSY, DEPRESSION, ANXIETY, PSYCHOSIS, FAINTNESS ATTACKS, HYPOKINESIA, CRANIAL DISORDERS, NEURODEGENERATIVE DISORDERS, PANIC, PAIN, INFLAMMATORY DISEASE, INSOMNIA, GASTROINTESTINAL DISORDERS XENOPORT, INC. 2004-11-16 US disclosed
US-20040077553-A1 Prodrugs of GABA analogs, compositions and uses thereof XENOPORT, INC. 2004-04-22 US disclosed
US-20040006132-A1 Prodrugs of gaba analogs, compositions and uses thereof ARBOR PHARMACEUTICALS, LLC 2004-01-08 US 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-20030171303-A1 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof ARBOR PHARMACEUTICALS, LLC 2003-09-11 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 (10 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 LMNA 3012/4885CYP1A2 135/4885CYP2D6 105/4885
US-20150307442-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 LMNA 3012/4885CYP1A2 135/4885CYP2D6 105/4885
US-20040077553-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 LMNA 3012/4885CYP1A2 135/4885CYP2D6 105/4885
US-20040006132-A1 Prodrugs of gaba analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 LMNA 3012/4885CYP1A2 135/4885CYP2D6 105/4885
US-20120035258-A1 METHODS OF USING PRODRUGS OF PREGABALIN GABBR1, GABRB2, GABBR2 LMNA 2052/4885CYP1A2 107/4885CYP2D6 62/4885
US-20130102641-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 LMNA 3012/4885CYP1A2 135/4885CYP2D6 105/4885
US-20060229361-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 LMNA 3012/4885CYP1A2 135/4885CYP2D6 105/4885
US-20030176398-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 LMNA 3012/4885CYP1A2 135/4885CYP2D6 105/4885
US-20030171303-A1 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof AADAC, UGT1A1, AGPAT5 LMNA 2537/4885CYP1A2 24/4885CYP2D6 25/4885
US-20050239725-A1 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof AADAC, UGT1A1, ABHD5 LMNA 2708/4885CYP1A2 21/4885CYP2D6 23/4885

“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.