SCHEMBL2126423

SCHEMBL2126423

CC(C)(C)OC(=O)N1C2CCC1([C@H](N[S@+]([O-])C(C)(C)C)c1ccccc1)CC2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 7/20 0.39
ATM Q13315 1/20 0.38
GPR119 Q8TDV5 2/20 0.35
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
SLC6A5 Q9Y345 1/20 0.34
TSHR P16473 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KMT2A Q03164 1/20 0.34
ALOX15 P16050 1/20 0.34
STS P08842 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL2125188 1.00 SLC6A9 (0.39) SLC6A9ATMGPR119KDM4EPKM
SCHEMBL2126165 1.00 SLC6A9 (0.39) SLC6A9ATMGPR119KDM4EPKM
SCHEMBL3718593 0.88 SLC6A9 (0.43) SLC6A9SLC6A5
SCHEMBL3711767 0.88 SLC6A9 (0.43) SLC6A9SLC6A5
SCHEMBL2124924 0.83 SLC6A9 (0.37) SLC6A9
SCHEMBL2605337 0.80 CHRM2 (0.33) L3MBTL1NPC1ALDH1A1MAPTMAPK1
SCHEMBL2605300 0.80 CHRM2 (0.33) L3MBTL1NPC1ALDH1A1MAPTMAPK1
SCHEMBL2124573 0.79 SLC6A9 (0.51) SLC6A9SLC6A5
SCHEMBL2605308 0.78 ATM (0.40) SLC6A9ATMGPR119KDM4EPKM
SCHEMBL3710583 0.78 ATM (0.40) SLC6A9ATMGPR119KDM4EPKM

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
US-20120094995-A1 2-AZA-BICYCLO[2.2.1]HEPTANE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2012-04-19 US 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 SLC6A9 50/4885ATM 4420/4885GPR119 1048/4885

“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.