SCHEMBL5660883

SCHEMBL5660883

COc1cccc(CC2(C)CCN(C3[CH]CCCCCC3)C2=O)c1.[CH2].[CH2]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 3/20 0.42
NPSR1 Q6W5P4 1/20 0.41
CTSD P07339 1/20 0.40
CTSE P14091 1/20 0.40
BACE1 P56817 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
PKM P14618 2/20 0.39
HTT P42858 1/20 0.39
HRH3 Q9Y5N1 3/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL5034230 0.77 MEN1 (0.39) LMNAALDH1A1KMT2AMEN1NPSR1
SCHEMBL3421964 0.76 ALDH1A1 (0.46) LMNAALDH1A1KMT2AMEN1SIGMAR1
SCHEMBL5662819 0.75 HSD11B1 (0.33)
SCHEMBL13435183 0.72 ALDH1A1 (0.44) LMNAALDH1A1KMT2AMEN1PKM
SCHEMBL6828064 0.71 SIGMAR1 (0.53) LMNAALDH1A1KMT2AMEN1NPSR1
SCHEMBL3882925 0.70 HSD11B1 (0.50) LMNAALDH1A1HTTKDM4ESMN1; SMN2
SCHEMBL5566934 0.70 HSD11B1 (0.43) ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL3427043 0.65
SCHEMBL2988698 0.63 HSD11B1 (0.68) ALDH1A1KMT2AMEN1CTSDCTSE
SCHEMBL5678905 0.63 ALDH1A1 (0.97) LMNAALDH1A1PKMHTTCYP3A4

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 1 patent. 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

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 LMNA 1720/4885ALDH1A1 99/4885KMT2A 3591/4885

“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.