SCHEMBL2124901

SCHEMBL2124901

CC(C)(C)OC(=O)N1C2CCC1(C(O)c1cccc(Br)c1)CC2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.38
UCHL1 P09936 1/20 0.37
MBTD1 Q05BQ5 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC6A9 P48067 1/20 0.36
RORC P51449 2/20 0.36
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
DGAT1 O75907 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
GSK3B P49841 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
NOTCH1 P46531 3/20 0.34

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
SCHEMBL3710583 0.76 ATM (0.40) KMT2ASLC6A9
SCHEMBL2605308 0.76 ATM (0.40) KMT2ASLC6A9
SCHEMBL2124061 0.76 L3MBTL3 (0.40) USP30UCHL1MBTD1L3MBTL3MEN1
SCHEMBL23264965 0.73 CHRM2 (0.41) DDB1CRBN
SCHEMBL31329480 0.73 CHRM2 (0.41) DDB1CRBN
SCHEMBL30200426 0.73 CHRM2 (0.41) DDB1CRBN
SCHEMBL2605309 0.70 SLC6A9 (0.68) SLC6A9
SCHEMBL23877927 0.70 KDM4E (0.47) NOTCH1
SCHEMBL2126165 0.69 SLC6A9 (0.39) KMT2ASLC6A9
SCHEMBL2125188 0.69 SLC6A9 (0.39) KMT2ASLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120094995-A1 2-AZA-BICYCLO[2.2.1]HEPTANE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2012-04-19 US disclosed
EP-2391628-A1 2-AZA-BICYCLOÝ2.2.1¨HEPTANE COMPOUNDS AND USES THEREOF AstraZeneca AB (SE) 2011-12-07 EP disclosed
WO-2010087762-A1 2-AZA-BICYCLO[2.2.1]HEPTANE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2010-08-05 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 (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-20120094995-A1 2-AZA-BICYCLO[2.2.1]HEPTANE COMPOUNDS AND USES THEREOF SLC1A2, B4GALT1, SLC6A1 USP30 4714/4885UCHL1 4621/4885MBTD1 347/4885

“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.