SCHEMBL13435185

SCHEMBL13435185

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

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD11B1 P28845 4/20 0.33
TSHR P16473 2/20 0.33
PARG Q86W56 2/20 0.32
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30
CDK1 P06493 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
SCHEMBL13435171 0.93 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2HSD11B1TSHRPARG
SCHEMBL13435183 0.89 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2HSD11B1GAAMEN1
SCHEMBL3421964 0.83 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HSD11B1GAAMEN1
SCHEMBL3424693 0.78 HSD11B1 (0.36) HSD11B1KMT2A
SCHEMBL13435188 0.78 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HSD11B1GAAMEN1
SCHEMBL13435190 0.74 HSD11B1 (0.50) HSD11B1MEN1KMT2A
SCHEMBL13435189 0.73 HCRTR1 (0.40) ALDH1A1TSHRCYP3A4CYP2C19
SCHEMBL2170840 0.73 TDP1 (0.37) ALDH1A1SMN1; SMN2TSHRPARGMEN1
SCHEMBL13435180 0.73 HSD11B1 (0.55) ALDH1A1SMN1; SMN2HSD11B1TSHRKMT2A
SCHEMBL3427458 0.72 HSD11B1 (0.39) ALDH1A1SMN1; SMN2HSD11B1GAAL3MBTL1

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.