SCHEMBL3322776

SCHEMBL3322776

Cc1nc2cc(OCC(=O)C34CC5CC(CC(C5)C3)C4)ccc2s1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.45
P2RX7 Q99572 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSP90AA1 P07900 1/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.41
CYP3A4 P08684 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL16453465 0.81 PDE10A (0.48) PDE10AP2RX7NPC1RAB9ASMN1; SMN2
SCHEMBL3324017 0.77 P2RX7 (0.52) P2RX7NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL13333350 0.76 P2RX7 (0.44) P2RX7NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3323184 0.75 RAB9A (0.51) RAB9ASMN1; SMN2HSP90AA1MAPTLMNA
SCHEMBL3323990 0.73 MEN1 (0.51) P2RX7RAB9ASMN1; SMN2HSP90AA1MAPT
SCHEMBL13333256 0.73 HSD11B1 (0.50) RAB9ASMN1; SMN2HSP90AA1MEN1KMT2A
SCHEMBL3323551 0.72 HSP90AA1 (0.56) RAB9AHSP90AA1CYP3A4MEN1KMT2A
SCHEMBL3751570 0.72 PDE10A (0.51) PDE10ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3751571 0.72 PDE10A (0.51) PDE10ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL31487019 0.72 PDE10A (0.59) PDE10ANPC1RAB9ASMN1; SMN2MAPT

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 6 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
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 PDE10A 2005/4885P2RX7 3719/4885NPC1 1106/4885
US-20100120789-A1 Compound NR0B2, NR0B1, NR4A1 PDE10A 2452/4885P2RX7 991/4885NPC1 2474/4885

“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.