SCHEMBL1224593

SCHEMBL1224593

CC(C)(C)OC(=O)N[C@@H]1[CH]CC[C@H](n2cnnn2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BTK Q06187 1/20 0.35
JAK1 P23458 5/20 0.34
CTSK P43235 2/20 0.33
KDM1A O60341 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
JAK2 O60674 2/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
MAOB P27338 2/20 0.32
MAOA P21397 1/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.31
HSD11B1 P28845 1/20 0.31
GPR119 Q8TDV5 1/20 0.31

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
SCHEMBL21789271 0.80 JAK1 (0.45) KMT2AL3MBTL1BTKJAK1CTSK
SCHEMBL1928948 0.76 NFKB1 (0.56) NFKB1NFKB2RELAKMT2AL3MBTL1
SCHEMBL27635798 0.74 NFKB1 (0.48) NFKB1NFKB2RELAKMT2AL3MBTL1
SCHEMBL3302438 0.71 CPB1 (0.46) KMT2AL3MBTL1CTSKKDM1AMAOB
SCHEMBL27621671 0.70 NFKB1 (0.44) NFKB1NFKB2RELAKMT2AL3MBTL1
SCHEMBL27621669 0.70 NFKB1 (0.44) NFKB1NFKB2RELAKMT2AL3MBTL1
SCHEMBL31390591 0.70 CHRM2 (0.48) HSD11B1GPR119
SCHEMBL1927425 0.69 NFKB1 (0.51) NFKB1NFKB2RELAKMT2AL3MBTL1
SCHEMBL17473176 0.69 NFKB1 (0.43) NFKB1NFKB2RELAKMT2AL3MBTL1
SCHEMBL5202686 0.68 NFKB1 (0.50) NFKB1NFKB2RELAKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7884118-B2 such as 1-Cyclopentyl-5-iodotetrazole, suitable as microbicides for protecting plants and materials LANXESS DEUTSCHLAND GMBH (DE) 2011-02-08 US disclosed
US-20090042960-A1 1-Cycloalkyl-5-Iodotetrazoles LANXESS DEUTSCHLAND GMBH (DE) 2009-02-12 US 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-20090042960-A1 1-Cycloalkyl-5-Iodotetrazoles MSR1, CYP51A1, MCL1 NFKB1 1029/4885NFKB2 2197/4885RELA 2394/4885

“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.