SCHEMBL5566934

SCHEMBL5566934

COc1cc(CC2CCN(C3[CH]CCCCCC3)C2=O)cc(OC)c1.[CH2].[CH2]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.43
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
ROCK2 O75116 1/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
KMT2A Q03164 2/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ATM Q13315 1/20 0.33
FKBP1A P62942 1/20 0.33
MEN1 O00255 1/20 0.33
CYP19A1 P11511 2/20 0.33
CYP26A1 O43174 1/20 0.33
CYP24A1 Q07973 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
SCHEMBL5660198 0.81 HSD11B1 (0.52) HSD11B1ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL5043821 0.74 HSD11B1 (0.42) HSD11B1ALDH1A1TSHRROCK2SMN1; SMN2
SCHEMBL3427613 0.73 HSD11B1 (0.64) HSD11B1ALDH1A1TSHRROCK2SMN1; SMN2
SCHEMBL2988698 0.73 HSD11B1 (0.68) HSD11B1ALDH1A1TSHRROCK2KMT2A
SCHEMBL3554688 0.71 HSD11B1 (0.69) HSD11B1ALDH1A1TSHRKMT2ASMN1; SMN2
SCHEMBL4698838 0.70 HSD11B1 (0.60) HSD11B1ALDH1A1TSHRKMT2ASMN1; SMN2
SCHEMBL5660883 0.70 LMNA (0.44) ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL13435180 0.69 HSD11B1 (0.55) HSD11B1ALDH1A1TSHRROCK2CA1
SCHEMBL208406 0.68 HSD11B1 (0.51) HSD11B1ALDH1A1TSHRKMT2AMEN1
SCHEMBL4696609 0.68 HSD11B1 (0.57) HSD11B1ALDH1A1TSHRKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070287743-A1 Adamantyl Pyrrolidin-2-One Derivatives as 11-Beta Hydroxtsteroid Dehydrogenase Inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-13 US claimed
EP-1747198-A1 ADAMANTYL PYRROLIDIN-2-ONE DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-01-31 EP 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 (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 1/4885ALDH1A1 99/4885TSHR 2665/4885

“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.