SCHEMBL3325992

SCHEMBL3325992

CN(Cc1cccnc1)C(=O)CC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.60
CYP3A4 P08684 1/20 0.57
P2RX7 Q99572 1/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
USP2 O75604 2/20 0.54
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 3/20 0.51
CYP17A1 P05093 4/20 0.50
CYP19A1 P11511 4/20 0.50
RIPK1 Q13546 1/20 0.49
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
LMNA P02545 2/20 0.47
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 2/20 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
SCHEMBL3324032 0.82 HSD11B1 (0.62) HSD11B1CYP3A4P2RX7MEN1KMT2A
SCHEMBL3322470 0.78 HSD11B1 (0.67) HSD11B1CYP3A4P2RX7MEN1KMT2A
SCHEMBL9153612 0.78 CYP17A1 (0.62) HSD11B1CYP3A4P2RX7MEN1KMT2A
SCHEMBL3323115 0.77 HSD11B1 (0.65) HSD11B1CYP3A4P2RX7MEN1KMT2A
SCHEMBL6619359 0.76 RIPK1 (0.65) KMT2ANPC1ALDH1A1RIPK1LMNA
SCHEMBL3324146 0.75 HSD11B1 (1.00) HSD11B1CYP3A4P2RX7MEN1KMT2A
SCHEMBL17887961 0.73 RIPK1 (0.52) MEN1KMT2ANPC1ALDH1A1RIPK1
SCHEMBL14753662 0.73 RIPK1 (0.66) KMT2ANPC1ALDH1A1RIPK1LMNA
Hydrochloric Acid SCHEMBL8542613 0.73 RIPK1 (0.58) NPC1ALDH1A1RIPK1LMNACHRNB2
SCHEMBL3324100 0.73 HSD11B1 (0.57) HSD11B1CYP3A4P2RX7MEN1KMT2A

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-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
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 3/4885CYP3A4 72/4885P2RX7 3719/4885
US-20100120789-A1 Compound NR0B2, NR0B1, NR4A1 HSD11B1 73/4885CYP3A4 100/4885P2RX7 991/4885

“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.