SCHEMBL1770243

SCHEMBL1770243

COc1ccncc1COC1C2CC3CC(C2)CC1(C(C)=O)C3

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
P2RX7 Q99572 1/20 0.37
HSD11B1 P28845 1/20 0.36
CYP17A1 P05093 3/20 0.36
CYP19A1 P11511 3/20 0.36
CNR2 P34972 3/20 0.35
KDM5A P29375 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
FAAH O00519 1/20 0.34
PKM P14618 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
TSPO P30536 1/20 0.33
OPRK1 P41145 1/20 0.33
ABCB1 P08183 1/20 0.33

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
SCHEMBL3413276 0.80 CHRNB2 (0.32) MEN1KMT2AP2RX7HSD11B1CYP17A1
SCHEMBL1769985 0.79 P2RX7 (0.42) MEN1KMT2AP2RX7HSD11B1CNR2
SCHEMBL1770241 0.77 HSD11B1 (0.62) MEN1KMT2AHSD11B1CYP17A1CYP19A1
SCHEMBL13688887 0.76 HSD11B1 (0.56) MEN1KMT2AHSD11B1CYP17A1CYP19A1
SCHEMBL30421834 0.65 POLB (0.51) MEN1KMT2ATSPOOPRK1
SCHEMBL4732085 0.64 TGM2 (0.42) MEN1KMT2AP2RX7CYP17A1CYP19A1
SCHEMBL19049440 0.62 MTNR1A (0.64) MEN1KMT2A
SCHEMBL91395 0.62 CA12 (0.50) MEN1KMT2ATSPOOPRK1
SCHEMBL31444905 0.62 HSD17B10 (0.54) MEN1KMT2ATSPOOPRK1
SCHEMBL4732088 0.61 MEN1 (0.45) MEN1KMT2ACYP17A1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112151-A1 COMPOUND CAPABLE OF INHIBITING 11-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2011-05-12 US disclosed
EP-2257528-A2 1 IBETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS Sterix Limited (GB) 2010-12-08 EP disclosed
WO-2009106817-A2 COMPOUND STERIX LIMITED (GB) 2009-09-03 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 (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-20110112151-A1 COMPOUND CAPABLE OF INHIBITING 11-BETA HYDROXYSTERIOD DEHYDROGENASE HSD11B1, HSD11B2, HSD3B1 MEN1 2644/4885KMT2A 2328/4885P2RX7 4468/4885

“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.