SCHEMBL25991

SCHEMBL25991

O=C=NCC1(CC(=O)OCc2ccccc2)CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CTSL P07711 3/20 0.41
CTSS P25774 3/20 0.41
CTSB P07858 1/20 0.41
KMT2A Q03164 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
CTSK P43235 2/20 0.35
CDC25B P30305 1/20 0.35
GLA P06280 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
SCHEMBL394093 0.81 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1CTSLCTSS
SCHEMBL14148977 0.80 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1CTSLCTSS
SCHEMBL2972573 0.80 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2
SCHEMBL395429 0.79 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1CTSLCTSS
Hydrochloric Acid SCHEMBL14108563 0.79 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1CTSLCTSS
SCHEMBL394616 0.78 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1CTSLCTSS
SCHEMBL3399492 0.78 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1CTSLCTSS
SCHEMBL6843353 0.77 ALDH1A1 (0.45) ALDH1A1MAPK1L3MBTL1CTSLCTSS
SCHEMBL2864243 0.76 CTSL (0.49) ALDH1A1MAPK1L3MBTL1CTSLCTSS
Acetic Acid SCHEMBL25992 0.76 GAA (0.38) ALDH1A1CTSLCTSBCTSK

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 26 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-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
US-8048917-B2 Prodrugs of GABA analogs, compositions and uses thereof XENOPORT, INC. (US) 2011-11-01 US disclosed
EP-1404324-B2 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT INC (US) 2011-04-06 EP 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
EP-1404324-A4 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT INC (US) 2004-12-22 EP 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
EP-1404324-A2 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF Xenoport, Inc. (US) 2004-04-07 EP 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
WO-2002100347-A2 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF 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 (9 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 298/4885MAPK1 4760/4885L3MBTL1 2865/4885
US-20150307442-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885MAPK1 4760/4885L3MBTL1 2865/4885
US-20070010453-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885MAPK1 4760/4885L3MBTL1 2865/4885
US-20040077553-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885MAPK1 4760/4885L3MBTL1 2865/4885
US-20040006132-A1 Prodrugs of gaba analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885MAPK1 4760/4885L3MBTL1 2865/4885
US-20120035258-A1 METHODS OF USING PRODRUGS OF PREGABALIN GABBR1, GABRB2, GABBR2 ALDH1A1 606/4885MAPK1 4379/4885L3MBTL1 3663/4885
US-20130102641-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885MAPK1 4760/4885L3MBTL1 2865/4885
US-20060229361-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885MAPK1 4760/4885L3MBTL1 2865/4885
US-20030176398-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885MAPK1 4760/4885L3MBTL1 2865/4885

“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.