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SCHEMBL24785

SCHEMBL24785

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ CACNA2D1 P54289 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ SLC18A2 Q05940 1/20 0.36
▸ MAPK1 P28482 1/20 0.33
▸ EGLN2 Q96KS0 1/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HSD11B1 P28845 1/20 0.32

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
SCHEMBL828104 1.00 ALDH1A1 (0.40) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL828002 1.00 ALDH1A1 (0.40) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL26422 0.91 ALDH1A1 (0.39) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL26031 0.91 ALDH1A1 (0.39) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL26585 0.90 SLC18A2 (0.31) SLC18A2
Gabapentin Enacarbil SCHEMBL977603 0.88 ALDH1A1 (0.41) ALDH1A1CYP1A2TSHRUSP2LMNA
Gabapentin Enacarbil SCHEMBL25455 0.88 ALDH1A1 (0.41) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL25625 0.88 ALDH1A1 (0.36) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL27369 0.88 ALDH1A1 (0.36) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL12342248 0.88 USP2 (0.33) ALDH1A1CYP1A2TSHRUSP2LMNA

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
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
US-8143437-B2 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof XENOPORT, INC. (US) 2012-03-27 — — US disclosed
US-20120035258-A1 METHODS OF USING PRODRUGS OF PREGABALIN XENOPORT, INC. (US) 2012-02-09 — — US disclosed
EP-1902714-B1 Prodrugs of gaba analogs, compositions and uses thereof XENOPORT INC (US) 2012-01-11 — — EP disclosed
EP-1902714-A1 Prodrugs of gaba analogs, compositions and uses thereof Xenoport, Inc. (US) 2008-03-26 — — EP disclosed
US-7186855-B2 Prodrugs of GABA analogs, compositions and uses thereof XENOPORT, INC. (US) 2007-03-06 — — 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-20050070715-A1 Methods for synthesis of acyloxyalkyl compounds ARBOR PHARMACEUTICALS, LLC 2005-03-31 — — 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

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 ALDH1A1 298/4885CYP1A2 135/4885TSHR 2583/4885
US-20150307442-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885CYP1A2 135/4885TSHR 2583/4885
US-20070010453-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885CYP1A2 135/4885TSHR 2583/4885
US-20050070715-A1 Methods for synthesis of acyloxyalkyl compounds AADAC, CYP2D6, CYP3A7 ALDH1A1 103/4885CYP1A2 19/4885TSHR 3334/4885
US-20040077553-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885CYP1A2 135/4885TSHR 2583/4885
US-20040006132-A1 Prodrugs of gaba analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885CYP1A2 135/4885TSHR 2583/4885
US-20120035258-A1 METHODS OF USING PRODRUGS OF PREGABALIN GABBR1, GABRB2, GABBR2 ALDH1A1 606/4885CYP1A2 107/4885TSHR 2907/4885
US-20130102641-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885CYP1A2 135/4885TSHR 2583/4885
US-20060229361-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885CYP1A2 135/4885TSHR 2583/4885
US-20030176398-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885CYP1A2 135/4885TSHR 2583/4885

“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.