SCHEMBL4567237

SCHEMBL4567237

CN(C)C(CC(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 3/20 0.53
GABBR1 Q9UBS5 3/20 0.53
CYP2C9 P11712 3/20 0.53
LMNA P02545 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C19 P33261 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP3A4 P08684 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
NFKB1 P19838 1/20 0.53
DRD3 P35462 1/20 0.53
BLM P54132 1/20 0.53
CYP1A2 P05177 1/20 0.53
THRB P10828 1/20 0.53
TSHR P16473 1/20 0.53
FFAR1 O14842 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CYP26A1 O43174 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL7259014 0.86 BRD4 (0.46) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL17772922 0.84 ALDH1A1 (0.45) CYP2C9LMNACYP2D6CYP2C19CYP3A4
SCHEMBL16689325 0.83 CHRNB2 (0.54) GABBR2GABBR1CYP2C19MEN1KMT2A
SCHEMBL5698049 0.83 CHRNB2 (0.54) GABBR2GABBR1CYP2C19MEN1KMT2A
SCHEMBL16680615 0.82 FFAR1 (0.49) LMNAMEN1KMT2ATSHRFFAR1
SCHEMBL9613763 0.82 FFAR1 (0.49) LMNAMEN1KMT2ATSHRFFAR1
Hydrochloric Acid SCHEMBL9995401 0.81 CHRNB2 (0.53) GABBR2GABBR1CYP2C19MEN1KMT2A
SCHEMBL28443405 0.79 GABBR2 (0.46) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL30858708 0.78 GABBR2 (0.42) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL6953158 0.77 HSD17B10 (0.44) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9044443-B2 Methods of treating autism CLINICAL RESEARCH ASSOCIATES, LLC (US) 2015-06-02 US disclosed
US-20130261186-A1 Methods of Treating Autism SEASIDE THERAPEUTICS, INC. (US) 2013-10-03 US disclosed
US-20130012586-A1 Methods of Treating Fragile X Syndrome SEASIDE THERAPEUTICS, INC. (US) 2013-01-10 US disclosed
US-20130012587-A1 Methods of Treating Autism SEASIDE THERAPEUTICS, INC. (US) 2013-01-10 US disclosed
US-8278276-B2 Methods of treating autism SEASIDE THERAPEUTICS, INC. (US) 2012-10-02 US disclosed
US-8273715-B2 Methods of treating fragile X syndrome SEASIDE THERAPEUTICS, INC. (US) 2012-09-25 US disclosed
US-20120129940-A1 METHODS OF TREATING AUTISM SEASIDE THERAPEUTICS, INC. (US) 2012-05-24 US disclosed
US-20120122986-A1 Methods of Treating Fragile X Syndrome SEASIDE THERAPEUTICS, INC. (US) 2012-05-17 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 (5 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-20130012586-A1 Methods of Treating Fragile X Syndrome GABRB1, GABBR1, GABBR2 GABBR2 3/4885GABBR1 2/4885CYP2C9 3563/4885
US-20120129940-A1 METHODS OF TREATING AUTISM GABRB3, GABRB2, GABBR1 GABBR2 5/4885GABBR1 3/4885CYP2C9 4375/4885
US-20120122986-A1 Methods of Treating Fragile X Syndrome GABRB1, GABBR1, GABBR2 GABBR2 3/4885GABBR1 2/4885CYP2C9 3563/4885
US-20130012587-A1 Methods of Treating Autism GABRB3, GABRB2, GABBR1 GABBR2 5/4885GABBR1 3/4885CYP2C9 4375/4885
US-20130261186-A1 Methods of Treating Autism GABRB2, GABRB3, GABRB1 GABBR2 5/4885GABBR1 4/4885CYP2C9 3572/4885

“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.