SCHEMBL5063459

SCHEMBL5063459

CC(C)(C)OC(=O)N1CCC2CCCC=C2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
THRB P10828 1/20 0.49
HPGD P15428 1/20 0.46
PDE4B Q07343 1/20 0.46
NAMPT P43490 1/20 0.45
GPR119 Q8TDV5 5/20 0.44
EPHX1 P07099 1/20 0.44
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
ESR2 Q92731 1/20 0.41
RECQL P46063 1/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL25048929 0.90 EPHX1 (0.45) MAPTKDM4ETHRBHPGDPDE4B
SCHEMBL18615255 0.90 PDE4B (0.41) MAPTKDM4ETHRBHPGDPDE4B
SCHEMBL22945378 0.89 EPHX1 (0.47) MAPTKDM4ETHRBHPGDPDE4B
SCHEMBL29594057 0.87 KDM4E (0.46) MAPTKDM4ETHRBHPGDNAMPT
SCHEMBL7425101 0.86 PDE4B (0.43) MAPTKDM4ETHRBPDE4BNAMPT
SCHEMBL19502935 0.83 PDE4B (0.42) MAPTKDM4ETHRBHPGDPDE4B
SCHEMBL15378283 0.81 KCNH2 (0.34) MAPTHPGDALDH1A1NPC1RAB9A
SCHEMBL772492 0.81 L3MBTL3 (0.33) MAPTHPGDALDH1A1NPC1RAB9A
SCHEMBL25048593 0.80 KDM4E (0.43) MAPTKDM4ETHRBNAMPTGPR119
SCHEMBL2938032 0.79 RAB9A (0.35) MAPTHPGDALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080166332-A1 Methods of Treatment of Amyloidosis Using Subsituted Ethanolcyclicamine Aspartyl Protease Inhibitors ELAN PHARMACEUTICALS, INC. (US) 2008-07-10 US disclosed
US-20060074098-A1 Methods of treatment of amyloidosis using ethanolcyclicamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2006-04-06 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 (2 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-20080166332-A1 Methods of Treatment of Amyloidosis Using Subsituted Ethanolcyclicamine Aspartyl Protease Inhibitors AMY1A, AMY2A, DNPEP MAPT 272/4885KDM4E 4347/4885THRB 2998/4885
US-20060074098-A1 Methods of treatment of amyloidosis using ethanolcyclicamine aspartyl protease inhibitors DNPEP, AMY1A, AMY2A MAPT 281/4885KDM4E 4289/4885THRB 3785/4885

“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.