SCHEMBL351702

SCHEMBL351702

NC[C@H](CC(=O)O)c1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 6/20 0.70
GABBR1 Q9UBS5 6/20 0.70
LMNA P02545 2/20 0.69
CYP2C9 P11712 2/20 0.69
CYP3A4 P08684 1/20 0.69
ADORA3 P0DMS8 1/20 0.69
NFKB1 P19838 1/20 0.69
DRD3 P35462 1/20 0.69
BLM P54132 1/20 0.69
CYP1A2 P05177 1/20 0.69
CYP2D6 P10635 1/20 0.69
CYP2C19 P33261 1/20 0.69
MEN1 O00255 1/20 0.69
THRB P10828 1/20 0.69
TSHR P16473 1/20 0.69
KMT2A Q03164 1/20 0.69
GAA P10253 1/20 0.50
FFAR1 O14842 1/20 0.46
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46

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
SCHEMBL351502 1.00 GABBR2 (0.70) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL660764 0.88 FNTA (0.54) GABBR2GABBR1LMNACYP2C9CYP3A4
Hydrochloric Acid SCHEMBL7334847 0.86 FNTA (0.52) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL28316668 0.83 FFAR1 (0.47) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL28801346 0.83 GABBR2 (0.72) GABBR2GABBR1LMNACYP2C9CYP3A4
Phenibut SCHEMBL9545047 0.82 GABBR2 (1.00) GABBR2GABBR1LMNACYP2C9CYP3A4
Phenibut SCHEMBL340838 0.82 GABBR2 (1.00) GABBR2GABBR1LMNACYP2C9CYP3A4
Phenibut SCHEMBL351501 0.82 GABBR2 (1.00) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL13940816 0.81 GABBR2 (0.70) GABBR2GABBR1LMNACYP2C9CYP3A4
Baclofen SCHEMBL5556250 0.81 GABBR2 (1.00) GABBR2GABBR1LMNACYP2C9CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353057-B2 Synthesis of acyloxyalkyl carbamate prodrugs and intermediates thereof XENOPORT, INC. (US) 2016-05-31 US claimed
US-20120016021-A1 METHODS OF TREATING FRAGILE X SYNDROME, DOWN'S SYNDROME, AUTISM AND RELATED DISORDERS XENOPORT, INC. (US) 2012-01-19 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 (1 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-20120016021-A1 METHODS OF TREATING FRAGILE X SYNDROME, DOWN'S SYNDROME, AUTISM AND RELATED DISORDERS GABBR2, GABBR1, GABRB1 GABBR2 1/4885GABBR1 2/4885LMNA 2604/4885

“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.