SCHEMBL924409

SCHEMBL924409

CC(C)(C)OC(=O)N1[C@H](CNCc2ccccc2)C[C@@H]2CCC[C@@H]21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GPR119 Q8TDV5 2/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
STS P08842 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
ATM Q13315 1/20 0.41
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
USP30 Q70CQ3 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
ACE P12821 1/20 0.39
ALOX15 P16050 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL1272282 0.91 ATM (0.42) KMT2AL3MBTL1GPR119JAK2JAK1
SCHEMBL1572245 0.91 ATM (0.42) KMT2AL3MBTL1GPR119JAK2JAK1
SCHEMBL1272940 0.91 ATM (0.42) KMT2AL3MBTL1GPR119JAK2JAK1
SCHEMBL12908081 0.83 L3MBTL1 (0.42) KMT2AL3MBTL1GPR119JAK2JAK1
SCHEMBL4754146 0.83 ALDH1A1 (0.39) KMT2AL3MBTL1GPR119JAK2JAK1
SCHEMBL14601234 0.83 ALDH1A1 (0.39) KMT2AL3MBTL1GPR119JAK2JAK1
Hydrochloric Acid SCHEMBL5577050 0.82 ALDH1A1 (0.38) KMT2AL3MBTL1GPR119JAK2JAK1
SCHEMBL5576370 0.81 ALDH1A1 (0.39) KMT2AL3MBTL1GPR119JAK2JAK1
SCHEMBL14601232 0.81 ALDH1A1 (0.39) KMT2AL3MBTL1GPR119JAK2JAK1
SCHEMBL4752280 0.81 ALDH1A1 (0.39) KMT2AL3MBTL1GPR119JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288429-B2 2-aza-bicyclo[3.3.0]octane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 US disclosed
US-8288429-B2 2-aza-bicyclo[3.3.0]octane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 US disclosed
US-20110009461-A1 2-AZA-BICYCLO[3.3.0]OCTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2011-01-13 US disclosed
US-20110009461-A1 2-AZA-BICYCLO[3.3.0]OCTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2011-01-13 US disclosed
WO-2009016564-A2 2-AZA-BICYCLO[3.3.0]OCTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-02-05 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-20110009461-A1 2-AZA-BICYCLO[3.3.0]OCTANE DERIVATIVES HCRTR2, HCRTR1, NPY2R KMT2A 528/4885L3MBTL1 4633/4885GPR119 105/4885

“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.