SCHEMBL1095482

SCHEMBL1095482

c1cc2c(cc1C1CCOCC1)CNC2

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
EPHX2 P34913 2/20 0.38
HTR1D P28221 1/20 0.36
QDPR P09417 1/20 0.36
DAO P14920 1/20 0.35
HTR6 P50406 1/20 0.34
SLC6A9 P48067 2/20 0.34
HSD11B1 P28845 1/20 0.33
RAF1 P04049 1/20 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
Hydrochloric Acid SCHEMBL3882894 0.98 DDB1 (0.44) DDB1CRBNEPHX2HTR1DQDPR
SCHEMBL3879144 0.90 DDB1 (0.43) DDB1CRBNEPHX2QDPRDAO
SCHEMBL31122203 0.87 DDB1 (0.51) DDB1CRBNEPHX2QDPRHTR6
Hydrochloric Acid SCHEMBL31210159 0.85 DDB1 (0.50) DDB1CRBNEPHX2QDPRHTR6
SCHEMBL3872150 0.80 DDB1 (0.41) DDB1CRBNEPHX2
SCHEMBL23917459 0.76 KDM4C (0.39) EPHX2HTR1DSLC6A9HSD11B1
SCHEMBL8262286 0.76 DAO (0.38) DAORAF1
SCHEMBL3126396 0.73 ASIC3 (0.55) DDB1CRBN
SCHEMBL21326118 0.73 PNMT (0.55)
SCHEMBL29586791 0.73 PNMT (0.55)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342197-B1 RADIOLABELLED INHIBITORS OF THE GLYCINE 1 TRANSPORTER HOFFMANN LA ROCHE (CH) 2013-01-16 EP disclosed
EP-2342197-B1 RADIOLABELLED INHIBITORS OF THE GLYCINE 1 TRANSPORTER HOFFMANN LA ROCHE (CH) 2013-01-16 EP disclosed
US-8188139-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
US-8188139-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
US-8153679-B2 Radiolabelled inhibitors of the glycine 1 transporter HOFFMANN-LA ROCHE INC. (US) 2012-04-10 US disclosed
US-8153679-B2 Radiolabelled inhibitors of the glycine 1 transporter HOFFMANN-LA ROCHE INC. (US) 2012-04-10 US disclosed
US-8153679-B2 Radiolabelled inhibitors of the glycine 1 transporter HOFFMANN-LA ROCHE INC. (US) 2012-04-10 US disclosed
EP-2342197-A1 RADIOLABELLED INHIBITORS OF THE GLYCINE 1 TRANSPORTER F. Hoffmann-La Roche AG (CH) 2011-07-13 EP disclosed
WO-2010052143-A1 RADIOLABELLED INHIBITORS OF THE GLYCINE 1 TRANSPORTER F. HOFFMANN-LA ROCHE AG (CH) 2010-05-14 WO disclosed
US-20100111862-A1 RADIOLABELLED INHIBITORS OF THE GLYCINE 1 TRANSPORTER F. HOFFMANN-LA ROCHE AG (CH) 2010-05-06 US disclosed
US-20100111862-A1 RADIOLABELLED INHIBITORS OF THE GLYCINE 1 TRANSPORTER F. HOFFMANN-LA ROCHE AG (CH) 2010-05-06 US disclosed
US-20100111862-A1 RADIOLABELLED INHIBITORS OF THE GLYCINE 1 TRANSPORTER F. HOFFMANN-LA ROCHE AG (CH) 2010-05-06 US disclosed
EP-1848694-B1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 HOFFMANN LA ROCHE (CH) 2009-11-25 EP disclosed
US-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2009-08-13 US disclosed
US-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2009-08-13 US disclosed
US-7557114-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2009-07-07 US disclosed
US-7557114-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2009-07-07 US disclosed
WO-2006082001-A1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 F.HOFFMANN-LA ROCHE AG (CH) 2006-08-10 WO 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-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES CYP2B6, CYP2D6, CYP1A2 DDB1 4325/4885CRBN 4032/4885EPHX2 1186/4885
US-20100111862-A1 RADIOLABELLED INHIBITORS OF THE GLYCINE 1 TRANSPORTER SLC1A5, SLC7A1, SLC1A1 DDB1 1546/4885CRBN 4144/4885EPHX2 2977/4885

“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.