SCHEMBL13435171

SCHEMBL13435171

COc1cc(CC2(C)CCN(C3C4CC5CC(C4)CC3C5)C2=O)cc(OC)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD11B1 P28845 2/20 0.34
TSHR P16473 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PARG Q86W56 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALOX12 P18054 1/20 0.31
SIGMAR1 Q99720 1/20 0.30
MCHR1 Q99705 1/20 0.30

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
SCHEMBL13435185 0.93 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2HSD11B1TSHRL3MBTL1
SCHEMBL3421964 0.89 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HSD11B1L3MBTL1SIGMAR1
SCHEMBL3424693 0.84 HSD11B1 (0.36) HSD11B1
SCHEMBL13435183 0.83 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2HSD11B1L3MBTL1
SCHEMBL13435190 0.81 HSD11B1 (0.50) HSD11B1
SCHEMBL13435189 0.80 HCRTR1 (0.40) ALDH1A1TSHR
SCHEMBL3427458 0.79 HSD11B1 (0.39) ALDH1A1SMN1; SMN2HSD11B1L3MBTL1
SCHEMBL13435167 0.74 HSD11B1 (0.38) ALDH1A1SMN1; SMN2HSD11B1
SCHEMBL13435188 0.73 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HSD11B1L3MBTL1SIGMAR1
SCHEMBL2170840 0.72 TDP1 (0.37) ALDH1A1SMN1; SMN2TSHRL3MBTL1PARG

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 2 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-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 ALDH1A1 99/4885SMN1; SMN2 4667/4885HSD11B1 1/4885

“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.