SCHEMBL496466

SCHEMBL496466

CC1C[C@H]2CN(C(=O)OC(C)(C)C)[C@H](CNCc3ccccc3)[C@H]2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
ATM Q13315 1/20 0.38
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38
HDAC8 Q9BY41 1/20 0.37
STS P08842 1/20 0.37
ACHE P22303 1/20 0.37
ABCB1 P08183 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
NAMPT P43490 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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 0.94 JAK2 (0.41) JAK2JAK1ATMNR1H2NR1H3
SCHEMBL2933063 0.94 JAK2 (0.41) JAK2JAK1ATMNR1H2NR1H3
SCHEMBL2933059 0.94 JAK2 (0.41) JAK2JAK1ATMNR1H2NR1H3
SCHEMBL1338962 0.94 JAK2 (0.41) JAK2JAK1ATMNR1H2NR1H3
SCHEMBL3636540 0.86 HTT (0.40) HDAC8KMT2AL3MBTL1LMNAHTT
SCHEMBL496187 0.84 KMT2A (0.41) JAK2JAK1ATMNR1H2NR1H3
SCHEMBL29997304 0.79 NR1H2 (0.48) JAK2JAK1NR1H2NR1H3STS
SCHEMBL29997881 0.79 NR1H2 (0.48) JAK2JAK1NR1H2NR1H3STS
SCHEMBL496608 0.77 NR1H2 (0.48) JAK2JAK1NR1H2KMT2A
SCHEMBL8007362 0.77 JAK2 (0.41) JAK2JAK1ATMNR1H2NR1H3

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 JAK2 2883/4885JAK1 4019/4885ATM 4790/4885

“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.