SCHEMBL5250926

SCHEMBL5250926

OC[C@@H](O)c1ccc(Cl)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.43
GABBR1 Q9UBS5 1/20 0.43
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
TSHR P16473 1/20 0.35
GSK3B P49841 1/20 0.35
TOP2A P11388 1/20 0.35
TOP2B Q02880 1/20 0.35
F2 P00734 1/20 0.34
DAO P14920 1/20 0.34
WRN Q14191 1/20 0.34
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33

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
SCHEMBL5246292 1.00 GABBR2 (0.43) GABBR2GABBR1CYP3A4CYP2D6SLC6A2
SCHEMBL5247316 1.00 GABBR2 (0.43) GABBR2GABBR1CYP3A4CYP2D6SLC6A2
SCHEMBL14709152 0.83 GABBR2 (0.43) GABBR2GABBR1CYP3A4CYP2D6SLC6A2
SCHEMBL27911200 0.83 GABBR2 (0.43) GABBR2GABBR1CYP3A4CYP2D6SLC6A2
SCHEMBL23258012 0.81 GABBR2 (0.42) GABBR2GABBR1CYP3A4CYP2D6SLC6A2
SCHEMBL22585593 0.81 GABBR2 (0.42) GABBR2GABBR1CYP3A4CYP2D6SLC6A2
SCHEMBL17459297 0.81 GABBR2 (0.54) GABBR2GABBR1CYP3A4CYP2D6SLC6A2
SCHEMBL21722781 0.79 GABBR2 (0.41) GABBR2GABBR1CYP3A4CYP2D6SLC6A2
SCHEMBL21722780 0.79 GABBR2 (0.41) GABBR2GABBR1CYP3A4CYP2D6SLC6A2
SCHEMBL23521673 0.79 GABBR2 (0.41) GABBR2GABBR1CYP3A4CYP2D6SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1406605-B1 CARBAMATES OF 2-HETEROCYCLIC-1,2-ETHANEDIOLS SK CORP (KR) 2007-09-19 EP disclosed
US-20050065193-A1 Carbamates of 2-heterocyclic-1,2-ethanediols SK CORPORATION 2005-03-24 US disclosed
US-6841569-B2 Carbamates of 2-heterocyclic-1,2-ethanediols SK CORPORATION (US) 2005-01-11 US disclosed
US-20030078235-A1 Carbamates of 2-heterocyclic-1,2-ethanediols SK BIOPHARMACEUTICALS CO., LTD. (KR) 2003-04-24 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 (2 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-20050065193-A1 Carbamates of 2-heterocyclic-1,2-ethanediols CNR2, CNR1, GRIN2C GABBR2 21/4885GABBR1 11/4885CYP3A4 276/4885
US-20030078235-A1 Carbamates of 2-heterocyclic-1,2-ethanediols CNR2, CNR1, GRIN2C GABBR2 21/4885GABBR1 11/4885CYP3A4 276/4885

“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.