SCHEMBL496187

SCHEMBL496187

CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1CNCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DPP4 P27487 1/20 0.40
USP30 Q70CQ3 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
STS P08842 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
ATM Q13315 1/20 0.39
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
BCHE P06276 1/20 0.38
HTR6 P50406 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
ACE P12821 1/20 0.38

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
SCHEMBL4067280 0.88 JAK2 (0.41) KMT2AL3MBTL1DPP4JAK2JAK1
SCHEMBL2933059 0.88 JAK2 (0.41) KMT2AL3MBTL1DPP4JAK2JAK1
SCHEMBL2933063 0.88 JAK2 (0.41) KMT2AL3MBTL1DPP4JAK2JAK1
SCHEMBL1338962 0.88 JAK2 (0.41) KMT2AL3MBTL1DPP4JAK2JAK1
SCHEMBL496466 0.84 JAK2 (0.39) KMT2AL3MBTL1DPP4JAK2JAK1
SCHEMBL3639934 0.84 DPP4 (0.46) DPP4USP2ALDH1A1HPGDACE
SCHEMBL19852079 0.78 GPR119 (0.43) KMT2AUSP30JAK2JAK1STS
SCHEMBL496810 0.78 MEN1 (0.37) KMT2AL3MBTL1DPP4ATMALDH1A1
SCHEMBL924409 0.78 KMT2A (0.45) KMT2AL3MBTL1USP30JAK2JAK1
SCHEMBL1682323 0.77 OPRD1 (0.52) KMT2AL3MBTL1DPP4STSKDM4E

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-8106215-B2 3-aza-bicyclo[3.3.0]octane compounds ACTELION PHARMACEUTICALS LTD. (CH) 2012-01-31 US disclosed
EP-2164847-B1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2011-09-14 EP disclosed
US-20100184808-A1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-22 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-20100184808-A1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS HCRTR2, HCRTR1, OXTR KMT2A 571/4885L3MBTL1 3866/4885DPP4 2554/4885

“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.