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SCHEMBL26773

SCHEMBL26773

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.39
▸ HPGD P15428 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ PABPC1 P11940 1/20 0.38
▸ APOBEC3A P31941 1/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.38
▸ EGLN2 Q96KS0 1/20 0.37
▸ EGLN1 Q9GZT9 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ SLC18A2 Q05940 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ CTSK P43235 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36

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
SCHEMBL25331 0.88 GAA (0.39) TSHRGAAALDH1A1HPGDUSP2
SCHEMBL25645 0.80 ALDH1A1 (0.45) GAAALDH1A1HPGDUSP2KMT2A
Gabapentin SCHEMBL6257753 0.80 ALDH1A1 (0.50) TSHRGAAALDH1A1HPGDUSP2
SCHEMBL24850 0.79 ALDH1A1 (0.41) TSHRGAAALDH1A1HPGDUSP2
SCHEMBL25513 0.77 CYP2D6 (0.43) TSHRGAAALDH1A1HPGDUSP2
SCHEMBL26031 0.77 ALDH1A1 (0.39) TSHRGAAALDH1A1HPGDUSP2
SCHEMBL598614 0.77 ALDH1A1 (0.39) TSHRGAAALDH1A1HPGDUSP2
SCHEMBL1746363 0.76 ALDH1A1 (0.45) TSHRGAAALDH1A1HPGDUSP2
SCHEMBL1563323 0.76 APOBEC3A (0.39) TSHRALDH1A1KMT2APABPC1APOBEC3A
SCHEMBL25845 0.76 CYP2D6 (0.41) TSHRGAAALDH1A1HPGDUSP2

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 33 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-20070010453-A1 Prodrugs of GABA analogs, compositions and uses thereof XENOPORT, INC. 2007-01-11 — — US disclosed
US-20060229361-A1 Prodrugs of GABA analogs, compositions and uses thereof XENOPORT, INC. 2006-10-12 — — US 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 (11 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 TSHR 2583/4885GAA 439/4885ALDH1A1 298/4885
US-20150307442-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 TSHR 2583/4885GAA 439/4885ALDH1A1 298/4885
US-20070010453-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 TSHR 2583/4885GAA 439/4885ALDH1A1 298/4885
US-20040077553-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 TSHR 2583/4885GAA 439/4885ALDH1A1 298/4885
US-20040006132-A1 Prodrugs of gaba analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 TSHR 2583/4885GAA 439/4885ALDH1A1 298/4885
US-20120035258-A1 METHODS OF USING PRODRUGS OF PREGABALIN GABBR1, GABRB2, GABBR2 TSHR 2907/4885GAA 258/4885ALDH1A1 606/4885
US-20130102641-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 TSHR 2583/4885GAA 439/4885ALDH1A1 298/4885
US-20060229361-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 TSHR 2583/4885GAA 439/4885ALDH1A1 298/4885
US-20030176398-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 TSHR 2583/4885GAA 439/4885ALDH1A1 298/4885
US-20030171303-A1 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof AADAC, UGT1A1, AGPAT5 TSHR 4306/4885GAA 558/4885ALDH1A1 158/4885
US-20050239725-A1 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof AADAC, UGT1A1, ABHD5 TSHR 4384/4885GAA 586/4885ALDH1A1 126/4885

“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.