SCHEMBL3428183

SCHEMBL3428183

COc1cccc(CC2CCCN(C3C4CC5CC(C4)CC3C5)C2=O)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.61
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ROCK2 O75116 1/20 0.45
ATM Q13315 3/20 0.44
EED O75530 2/20 0.43
KMT2A Q03164 1/20 0.43
HRH3 Q9Y5N1 4/20 0.43
HTR1A P08908 1/20 0.42
SLC6A4 P31645 1/20 0.42
KDM4E B2RXH2 1/20 0.41
RECQL P46063 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL3421958 0.93 HSD11B1 (0.70) HSD11B1ALDH1A1SMN1; SMN2ROCK2EED
SCHEMBL13435180 0.90 HSD11B1 (0.55) HSD11B1ALDH1A1SMN1; SMN2ROCK2ATM
SCHEMBL3427613 0.83 HSD11B1 (0.64) HSD11B1ALDH1A1SMN1; SMN2ROCK2
SCHEMBL13435168 0.81 HSD11B1 (0.68) HSD11B1ROCK2
SCHEMBL13435178 0.79 HSD11B1 (0.58) HSD11B1ALDH1A1KMT2AKDM4EGAA
SCHEMBL13435175 0.78 HSD11B1 (0.57) HSD11B1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL13435170 0.77 HSD11B1 (0.73) HSD11B1ALDH1A1SMN1; SMN2ROCK2
SCHEMBL13435176 0.77 HSD11B1 (0.59) HSD11B1ALDH1A1HRH3
SCHEMBL13435188 0.77 ALDH1A1 (0.45) HSD11B1ALDH1A1SMN1; SMN2KMT2AHRH3
SCHEMBL13435191 0.76 HSD11B1 (1.00) HSD11B1ALDH1A1ROCK2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687644-B2 Adamantyl pyrrolidin-2-one derivatives as 11-beta hydroxysteroid dehydrogenase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2010-03-30 US disclosed
US-7687644-B2 Adamantyl pyrrolidin-2-one derivatives as 11-beta hydroxysteroid dehydrogenase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2010-03-30 US disclosed
US-7687644-B2 Adamantyl pyrrolidin-2-one derivatives as 11-beta hydroxysteroid dehydrogenase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2010-03-30 US disclosed
EP-1747198-B1 ADAMANTYL PYRROLIDIN-2-ONE DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2008-06-04 EP disclosed
US-20070287743-A1 Adamantyl Pyrrolidin-2-One Derivatives as 11-Beta Hydroxtsteroid Dehydrogenase Inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-13 US disclosed
US-20070287743-A1 Adamantyl Pyrrolidin-2-One Derivatives as 11-Beta Hydroxtsteroid Dehydrogenase Inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-13 US disclosed
US-20070287743-A1 Adamantyl Pyrrolidin-2-One Derivatives as 11-Beta Hydroxtsteroid Dehydrogenase Inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-13 US disclosed
US-7288613-B2 N-alkoxy-4,4-dioxy-polyalkyl-piperidine compounds, their corresponding N-oxides and controlled radical polymerization therewith CIBA SPECIALTY CHEMICALS CORP. (US) 2007-10-30 US disclosed
EP-1747198-A1 ADAMANTYL PYRROLIDIN-2-ONE DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-01-31 EP disclosed
US-20060149011-A1 N-alkoxy-4,4-dioxy-polyalkyl-piperidine compounds, their corresponding N-oxides and controlled radical polymerization therewith NESVADBA PETER 2006-07-06 US disclosed
WO-2005108361-A1 ADAMANTYL PYRROLIDIN-2-ONE DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-11-17 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-20060149011-A1 N-alkoxy-4,4-dioxy-polyalkyl-piperidine compounds, their corresponding N-oxides and controlled radical polymerization therewith ALKBH2, ALKBH3, ALKBH5 HSD11B1 4755/4885ALDH1A1 369/4885SMN1; SMN2 2519/4885
US-20070287743-A1 Adamantyl Pyrrolidin-2-One Derivatives as 11-Beta Hydroxtsteroid Dehydrogenase Inhibitors HSD11B1, HSD11B2, HSDL2 HSD11B1 1/4885ALDH1A1 99/4885SMN1; SMN2 4667/4885

“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.