SCHEMBL824927

SCHEMBL824927

CNCC(CC(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 3/20 0.63
GABBR1 Q9UBS5 3/20 0.63
CYP2C9 P11712 3/20 0.63
LMNA P02545 2/20 0.63
CYP2D6 P10635 2/20 0.63
CYP2C19 P33261 2/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
CYP3A4 P08684 1/20 0.63
ADORA3 P0DMS8 1/20 0.63
NFKB1 P19838 1/20 0.63
DRD3 P35462 1/20 0.63
BLM P54132 1/20 0.63
CYP1A2 P05177 1/20 0.63
THRB P10828 1/20 0.63
TSHR P16473 1/20 0.63
FNTA P49354 4/20 0.51
FNTB P49356 4/20 0.51
SLC6A2 P23975 2/20 0.49
SLC6A4 P31645 2/20 0.49

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
SCHEMBL21686707 0.84 GABBR2 (0.59) GABBR2GABBR1CYP2D6MEN1KMT2A
SCHEMBL391659 0.84 GABBR2 (0.79) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL7995264 0.83 GABBR2 (0.63) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL13524865 0.83 GABBR2 (0.58) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL28014207 0.82 GABBR2 (0.76) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL11321913 0.81 GABBR2 (0.69) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL22193617 0.81 GABBR2 (0.69) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL27844992 0.81 GABBR2 (0.59) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL7666332 0.79 SLC6A4 (0.47) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL9076600 0.79 GABBR2 (0.71) GABBR2GABBR1CYP2C9LMNACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3599246-A1 MEANS AND METHODS FOR SYNTHESIZING PRECURSORS OF Y-AMINOBUTYRIC ACID (GABA) ANALOGS RIJKSUNIVERSITEIT GRONINGEN (NL) 2020-01-29 EP disclosed
US-8143311-B2 Methods of treating fragile X syndrome and autism SEASIDE THERAPEUTICS, INC. (US) 2012-03-27 US disclosed
US-20100029770-A1 Methods of treating mental retardation, down's syndrome, fragile X syndrome and autism SEASIDE THERAPEUTICS, LLC (US) 2010-02-04 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-20100029770-A1 Methods of treating mental retardation, down's syndrome, fragile X syndrome and autism GABRB1, GABRB3, GABRB2 GABBR2 4/4885GABBR1 5/4885CYP2C9 4050/4885

“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.