SCHEMBL747015

SCHEMBL747015

CC(=O)N1[C@@H]2CC[C@H]1CC(NC(=O)OC(C)(C)C)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.51
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
CTSK P43235 2/20 0.48
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CYP2C9 P11712 1/20 0.43
HSD11B1 P28845 1/20 0.43
KDM1A O60341 1/20 0.42
MAOB P27338 1/20 0.42
JAK1 P23458 3/20 0.40
GAA P10253 2/20 0.40
JAK2 O60674 1/20 0.39
EPHX1 P07099 1/20 0.39
PREP P48147 1/20 0.39
EPHX2 P34913 1/20 0.39
NFKB1 P19838 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
SCHEMBL29498425 0.87 BTK (0.55) BTKKMT2AL3MBTL1CHRM2CHRM1
SCHEMBL21631816 0.87 BTK (0.55) BTKKMT2AL3MBTL1CHRM2CHRM1
SCHEMBL962474 0.83 BTK (0.54) BTKKMT2AL3MBTL1CHRM2CHRM1
SCHEMBL1116704 0.83 BTK (0.54) BTKKMT2AL3MBTL1CHRM2CHRM1
SCHEMBL29676411 0.83 BTK (0.54) BTKKMT2AL3MBTL1CHRM2CHRM1
SCHEMBL38665370 0.81 BTK (0.46) BTKKMT2AL3MBTL1CHRM2CHRM1
SCHEMBL31327089 0.81 CTSK (0.51) BTKKMT2AL3MBTL1CHRM2CHRM1
SCHEMBL23475169 0.79 BTK (0.50) BTKKMT2AL3MBTL1CHRM2CHRM1
SCHEMBL21739031 0.79 BTK (0.50) BTKKMT2AL3MBTL1CHRM2CHRM1
SCHEMBL21739053 0.79 KMT2A (0.57) BTKKMT2AL3MBTL1CHRM2CHRM1

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
EP-2430019-B1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2013-09-18 EP disclosed
US-8399465-B2 Compounds with two fused bicyclic heteroaryl moieties as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICA NV (BE) 2013-03-19 US disclosed
EP-2430019-A1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE Janssen Pharmaceutica, N.V. (BE) 2012-03-21 EP disclosed
WO-2010132599-A1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-11-18 WO disclosed
US-20100292208-A1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-11-18 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-20100292208-A1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTC4S, LTB4R BTK 2077/4885KMT2A 2933/4885L3MBTL1 1139/4885

“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.