SCHEMBL13101899

SCHEMBL13101899

CC(=O)C[C@@H](CNC(=O)O[C@H](OC(=O)C(C)C)C(C)C)c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
RAB9A P51151 2/20 0.37
CYP2C9 P11712 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP1A2 P05177 2/20 0.36
TSHR P16473 2/20 0.36
CYP2C19 P33261 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
GABBR2 O75899 3/20 0.35
GABBR1 Q9UBS5 3/20 0.35
LMNA P02545 3/20 0.35
FFAR2 O15552 1/20 0.35
CYP3A4 P08684 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
NFKB1 P19838 1/20 0.35
DRD3 P35462 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
Arbaclofen Placarbil SCHEMBL351833 0.91 GABBR2 (0.47) MAPTL3MBTL1RAB9ACYP2C9MEN1
Arbaclofen Placarbil SCHEMBL638204 0.91 GABBR2 (0.47) MAPTL3MBTL1RAB9ACYP2C9MEN1
Arbaclofen Placarbil SCHEMBL349961 0.91 GABBR2 (0.47) MAPTL3MBTL1RAB9ACYP2C9MEN1
Arbaclofen Placarbil SCHEMBL3375708 0.91 GABBR2 (0.47) MAPTL3MBTL1RAB9ACYP2C9MEN1
Arbaclofen Placarbil SCHEMBL2472988 0.91 GABBR2 (0.47) MAPTL3MBTL1RAB9ACYP2C9MEN1
Arbaclofen Placarbil SCHEMBL14689524 0.89 GABBR2 (0.46) MAPTL3MBTL1RAB9ACYP2C9MEN1
Arbaclofen Placarbil SCHEMBL14692761 0.89 GABBR2 (0.46) MAPTL3MBTL1RAB9ACYP2C9MEN1
Arbaclofen Placarbil SCHEMBL14689601 0.89 GABBR2 (0.46) MAPTL3MBTL1RAB9ACYP2C9MEN1
Arbaclofen Placarbil SCHEMBL636876 0.88 MAPT (0.39) MAPTL3MBTL1RAB9ACYP2C9MEN1
Arbaclofen Placarbil SCHEMBL638830 0.88 MAPT (0.39) MAPTL3MBTL1RAB9ACYP2C9MEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9265748-B2 Anhydrous and hemihydrate crystalline forms of an (R)-baclofen prodrug, methods of synthesis and methods of use XENOPORT, INC. (US) 2016-02-23 US disclosed
US-20150313865-A1 ANHYDROUS AND HEMIHYDRATE CRYSTALLINE FORMS OF AN (R)-BACLOFEN PRODRUG, METHODS OF SYNTHESIS AND METHODS OF USE XENOPORT, INC. (US) 2015-11-05 US disclosed
US-8580850-B2 Anhydrous and hemihydrate crystalline forms of an (R)-baclofen prodrug, methods of synthesis and methods of use XENOPORT, INC. (US) 2013-11-12 US disclosed
US-20130041026-A1 ANHYDROUS AND HEMIHYDRATE CRYSTALLINE FORMS OF AN (R)-BACLOFEN PRODRUG, METHODS OF SYNTHESIS AND METHODS OF USE XENOPORT, INC. (US) 2013-02-14 US disclosed
US-20100255093-A1 SUSTAINED RELEASE ORAL DOSAGE FORMS OF AN R-BACLOFEN PRODRUG XENOPORT, INC. (US) 2010-10-07 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 (3 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-20130041026-A1 ANHYDROUS AND HEMIHYDRATE CRYSTALLINE FORMS OF AN (R)-BACLOFEN PRODRUG, METHODS OF SYNTHESIS AND METHODS OF USE GABRB3, GABRB1, GABBR1 MAPT 723/4885L3MBTL1 2828/4885RAB9A 930/4885
US-20150313865-A1 ANHYDROUS AND HEMIHYDRATE CRYSTALLINE FORMS OF AN (R)-BACLOFEN PRODRUG, METHODS OF SYNTHESIS AND METHODS OF USE GABRB3, GABRB1, GABBR1 MAPT 719/4885L3MBTL1 2876/4885RAB9A 918/4885
US-20100255093-A1 SUSTAINED RELEASE ORAL DOSAGE FORMS OF AN R-BACLOFEN PRODRUG GABRB2, GABRB3, GABBR2 MAPT 2583/4885L3MBTL1 1914/4885RAB9A 272/4885

“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.