SCHEMBL3248533

SCHEMBL3248533

CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2ccccc2Cl)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 12/20 0.55
F13A1 P00488 9/20 0.55
TGM1 P22735 6/20 0.55
TGM3 Q08188 1/20 0.55
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
STS P08842 2/20 0.50
MAPT P10636 1/20 0.48
FAAH O00519 1/20 0.46
LMNA P02545 1/20 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
SCHEMBL13239816 0.95 TGM2 (0.59) TGM2F13A1TGM1TGM3STS
SCHEMBL28919020 0.82 STS (0.63) TGM2F13A1TGM1TGM3KMT2A
SCHEMBL5262401 0.81 TGM2 (0.51) TGM2F13A1TGM1TGM3
SCHEMBL1180627 0.81 TGM2 (0.60) TGM2F13A1TGM1TGM3KMT2A
SCHEMBL29060789 0.80 MAPT (0.73) TGM2F13A1TGM1TGM3KMT2A
SCHEMBL5235579 0.80 MEN1 (0.59) KMT2AMEN1STSMAPTLMNA
SCHEMBL2252120 0.79 TGM2 (0.63) TGM2F13A1TGM1KMT2ALMNA
SCHEMBL20100253 0.79 TGM2 (0.49) TGM2F13A1TGM1TGM3LMNA
SCHEMBL4266289 0.79 CNR1 (0.59) TGM2F13A1TGM1TGM3KMT2A
SCHEMBL1955697 0.79 ALDH1A1 (0.62) TGM2F13A1TGM1KMT2AMEN1

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-8586577-B2 Diazepane acetamide derivatives as selective 11B-HSD1 inhibitors MERCK PATENT GMBH (DE) 2013-11-19 US disclosed
US-20120283247-A1 DIAZEPANE ACETAMIDE DERIVATIVES AS SELECTIVE 11B-HSD1 INHIBITORS MERCK PATENT GMBH (DE) 2012-11-08 US disclosed
EP-2078001-B8 DIAZEPANE-ACETAMIDE DERIVATIVES AS SELECTIVE 11 -HSD1 INHIBITORS MERCK PATENT GMBH (DE) 2010-12-15 EP disclosed
EP-2078001-B1 DIAZEPANE-ACETAMIDE DERIVATIVES AS SELECTIVE 11 -HSD1 INHIBITORS MERCK PATENT GMBH (DE) 2010-05-12 EP disclosed
EP-2078001-A1 DIAZEPANE-ACETAMIDE DERIVATIVES AS SELECTIVE 11 -HSD1 INHIBITORS Merk Patent Gmbh (DE) 2009-07-15 EP disclosed
WO-2008052638-A1 DIAZEPANE-ACETAMIDE DERIVATIVES AS SELECTIVE 11β-HSD1 INHIBITORS MERK PATENT GMBH (DE) 2008-05-08 WO disclosed
EP-1918285-A1 Diazepane-acetamide derivatives as selective 11beta-HSD1 inhibitors Merck Sante (FR) 2008-05-07 EP 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-20120283247-A1 DIAZEPANE ACETAMIDE DERIVATIVES AS SELECTIVE 11B-HSD1 INHIBITORS HSD11B1, HSD11B2, HSD17B1 TGM2 2212/4885F13A1 2570/4885TGM1 3075/4885

“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.