SCHEMBL3428076

SCHEMBL3428076

O=C1C(Cc2ccccc2)CCN1C1[CH]CCCC(O)CC1.[CH2].[CH2]

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.55
ROCK2 O75116 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SLC18A3 Q16572 1/20 0.34
F2 P00734 2/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
USP2 O75604 1/20 0.33
ABCB1 P08183 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
SCHEMBL3422927 0.80 HSD11B1 (0.34) HSD11B1
SCHEMBL5244705 0.75 HSD11B1 (0.70) HSD11B1ROCK2ALDH1A1SLC18A3
SCHEMBL5660198 0.75 HSD11B1 (0.52) HSD11B1ALDH1A1L3MBTL1USP2
SCHEMBL2986964 0.72 HSD11B1 (1.00) HSD11B1ROCK2ALDH1A1DDB1CRBN
SCHEMBL16390739 0.67 HSD11B1 (0.74) HSD11B1ROCK2DDB1CRBN
SCHEMBL4697081 0.67 HSD11B1 (0.54) HSD11B1
SCHEMBL4698786 0.67 HSD11B1 (0.54) HSD11B1
SCHEMBL5566934 0.67 HSD11B1 (0.43) HSD11B1ROCK2ALDH1A1
SCHEMBL13435191 0.66 HSD11B1 (1.00) HSD11B1ROCK2ALDH1A1DDB1CRBN
SCHEMBL6654051 0.66 HSD11B1 (0.56) HSD11B1ROCK2ALDH1A1DDB1CRBN

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-7687644-B2 Adamantyl pyrrolidin-2-one derivatives as 11-beta hydroxysteroid dehydrogenase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2010-03-30 US claimed
EP-1747198-B1 ADAMANTYL PYRROLIDIN-2-ONE DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2008-06-04 EP claimed
US-20070287743-A1 Adamantyl Pyrrolidin-2-One Derivatives as 11-Beta Hydroxtsteroid Dehydrogenase Inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-13 US claimed
US-7687644-B2 Adamantyl pyrrolidin-2-one derivatives as 11-beta hydroxysteroid dehydrogenase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2010-03-30 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

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-20070287743-A1 Adamantyl Pyrrolidin-2-One Derivatives as 11-Beta Hydroxtsteroid Dehydrogenase Inhibitors HSD11B1, HSD11B2, HSDL2 HSD11B1 1/4885ROCK2 2350/4885ALDH1A1 99/4885

“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.