SCHEMBL1749988

SCHEMBL1749988

O=C1N(Cc2c(Cl)cc(O)cc2Cl)CCC12CCCCC2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 2/20 0.42
DBH P09172 1/20 0.37
HCRTR2 O43614 7/20 0.35
HCRTR1 O43613 6/20 0.35
RIPK1 Q13546 3/20 0.34
HDAC6 Q9UBN7 1/20 0.34
AOC2 O75106 4/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SPR P35270 1/20 0.32

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
SCHEMBL1749984 0.86 HDAC11 (0.42) HDAC11HCRTR2HCRTR1RIPK1HDAC6
SCHEMBL1750890 0.80 RIPK1 (0.40) HDAC11HCRTR2HCRTR1RIPK1AOC2
SCHEMBL1750996 0.80 HCRTR1 (0.39) HDAC11HCRTR2HCRTR1
SCHEMBL1750321 0.80 PDE5A (0.47) HDAC11HCRTR2HCRTR1RIPK1HDAC6
SCHEMBL12529190 0.79 HDAC11 (0.38) HDAC11HCRTR2HCRTR1RIPK1HDAC6
SCHEMBL1750724 0.79 HCRTR2 (0.44) HCRTR2HCRTR1MEN1KMT2A
SCHEMBL1750611 0.77 AOC2 (0.37) HDAC11HCRTR2HCRTR1RIPK1AOC2
SCHEMBL13299250 0.73 PDE5A (0.43) HDAC11HCRTR2HCRTR1RIPK1HDAC6
SCHEMBL20118241 0.72 ALDH1A1 (0.56) RIPK1MEN1KMT2A
SCHEMBL1750366 0.72 BACE1 (0.40) HDAC11HCRTR2HCRTR1RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968585-B2 Inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2011-06-28 US disclosed
EP-2035379-B1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2010-06-16 EP disclosed
US-20090099180-A1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY 2009-04-16 US disclosed
EP-2035379-A2 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 Eli Lilly & Company (US) 2009-03-18 EP disclosed
WO-2007127763-A2 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-08 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 (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-20090099180-A1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 HDAC11 107/4885DBH 368/4885HCRTR2 1211/4885

“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.