SCHEMBL4080674

SCHEMBL4080674

O=C(c1ccco1)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.65
ALDH1A1 P00352 7/20 0.63
HTT P42858 3/20 0.63
TSHR P16473 3/20 0.63
KDM4E B2RXH2 2/20 0.63
HSD11B1 P28845 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.57
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
LMNA P02545 2/20 0.57
MAPK1 P28482 1/20 0.56
CHRNB2 P17787 1/20 0.54
CHRNB4 P30926 1/20 0.54
CHRNA3 P32297 1/20 0.54
CHRNA7 P36544 1/20 0.54
CHRNA4 P43681 1/20 0.54
TP53 P04637 1/20 0.53
GAA P10253 1/20 0.52

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
SCHEMBL3323416 0.81 ALDH1A1 (0.59) USP2ALDH1A1HTTHSD11B1SMN1; SMN2
SCHEMBL10016587 0.81 USP2 (0.55) USP2ALDH1A1HTTKDM4ESMN1; SMN2
SCHEMBL16026437 0.81 ALDH1A1 (0.83) ALDH1A1HTTTSHRKDM4ESMN1; SMN2
SCHEMBL1372144 0.75 ALDH1A1 (0.73) ALDH1A1HTTTSHRKDM4ESMN1; SMN2
SCHEMBL3099181 0.75 ALDH1A1 (0.73) ALDH1A1HTTTSHRKDM4ESMN1; SMN2
SCHEMBL5992323 0.74 USP2 (0.49) USP2ALDH1A1HTTTSHRKDM4E
SCHEMBL3093579 0.73 ALDH1A1 (0.71) ALDH1A1HTTTSHRKDM4ESMN1; SMN2
SCHEMBL13804475 0.73 ALDH1A1 (0.71) ALDH1A1HTTTSHRKDM4ESMN1; SMN2
SCHEMBL1372147 0.73 CYP1A2 (0.75) ALDH1A1HTTTSHRKDM4ESMN1; SMN2
SCHEMBL61103 0.73 ALDH1A1 (0.87) ALDH1A1HTTTSHRKDM4ESMN1; SMN2

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-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 USP2 2756/4885ALDH1A1 437/4885HTT 4393/4885
US-20100120789-A1 Compound NR0B2, NR0B1, NR4A1 USP2 4356/4885ALDH1A1 3143/4885HTT 4373/4885

“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.