SCHEMBL3328772

SCHEMBL3328772

CN(CCc1ccccn1)C(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 1.00
NPSR1 Q6W5P4 2/20 0.51
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 2/20 0.49
CYP3A4 P08684 2/20 0.48
HIF1A Q16665 1/20 0.48
P2RX7 Q99572 1/20 0.48
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL3323746 0.83 HSD11B1 (0.71) HSD11B1ALDH1A1KDM4ECYP3A4HIF1A
SCHEMBL2755865 0.75 KDM4E (0.62) HSD11B1NPSR1ALDH1A1KDM4ECYP3A4
SCHEMBL424285 0.75 HIF1A (0.59) HSD11B1NPSR1ALDH1A1KDM4ECYP3A4
SCHEMBL4117417 0.75 HSD11B1 (0.60) HSD11B1ALDH1A1KDM4EHIF1ATDP1
SCHEMBL13333013 0.74 HSD11B1 (1.00) HSD11B1ALDH1A1KDM4EP2RX7
SCHEMBL7974997 0.74 HIF1A (0.58) HSD11B1NPSR1ALDH1A1KDM4ECYP3A4
SCHEMBL424284 0.74 HIF1A (0.58) HSD11B1NPSR1ALDH1A1KDM4ECYP3A4
SCHEMBL7974996 0.74 HIF1A (0.58) HSD11B1NPSR1ALDH1A1KDM4ECYP3A4
SCHEMBL3322601 0.73 HSD11B1 (1.00) HSD11B1CYP3A4
SCHEMBL12846060 0.73 HIF1A (0.64) HSD11B1NPSR1ALDH1A1KDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 US disclosed
US-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 US disclosed
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2009-02-12 US disclosed
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2009-02-12 US disclosed
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2009-02-12 US disclosed
EP-1861384-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS Sterix Limited (GB) 2007-12-05 EP disclosed
WO-2006100502-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS STERIX LIMITED (GB) 2006-09-28 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 (2 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-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors HSD3B1, HSD3B2, HSD11B1 HSD11B1 3/4885NPSR1 765/4885ALDH1A1 437/4885
US-20100120789-A1 Compound NR0B2, NR0B1, NR4A1 HSD11B1 73/4885NPSR1 144/4885ALDH1A1 3143/4885

“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.