SCHEMBL3322992

SCHEMBL3322992

CC(=O)Nc1ccc(NCC(=O)C23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.58
ALDH1A1 P00352 3/20 0.55
POLB P06746 1/20 0.55
CNR2 P34972 1/20 0.48
EPHX2 P34913 4/20 0.46
TDP1 Q9NUW8 1/20 0.45
PGR P06401 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NAMPT P43490 1/20 0.43
P2RX7 Q99572 1/20 0.43

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
SCHEMBL13332957 0.82 P2RX7 (0.55) NPC1ALDH1A1CNR2EPHX2MAPT
Hydrochloric Acid SCHEMBL6084812 0.81 P2RX7 (0.60) ALDH1A1CNR2EPHX2MAPTSMN1; SMN2
SCHEMBL3324612 0.80 ALDH1A1 (0.70) NPC1ALDH1A1POLBCNR2SMN1; SMN2
SCHEMBL3319841 0.80 GAA (0.57) NPC1ALDH1A1POLBCNR2EPHX2
SCHEMBL3321985 0.80 ALDH1A1 (0.65) NPC1ALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL3326859 0.80 CNR2 (0.61) NPC1ALDH1A1POLBCNR2EPHX2
SCHEMBL3323123 0.78 ALDH1A1 (0.53) NPC1ALDH1A1POLBCNR2EPHX2
Hydrochloric Acid SCHEMBL6084461 0.75 POLB (0.54) ALDH1A1POLBCNR2EPHX2TDP1
SCHEMBL22445036 0.74 NPC1 (1.00) NPC1ALDH1A1POLBEPHX2PGR
SCHEMBL13925927 0.74 ALDH1A1 (0.61) NPC1ALDH1A1POLBCNR2EPHX2

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 NPC1 1106/4885ALDH1A1 437/4885POLB 1708/4885
US-20100120789-A1 Compound NR0B2, NR0B1, NR4A1 NPC1 2474/4885ALDH1A1 3143/4885POLB 3372/4885

“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.