SCHEMBL730486

SCHEMBL730486

C#CC(=O)c1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.59
NR4A2 P43354 1/20 0.59
NR4A3 Q92570 1/20 0.59
MMP3 P08254 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
PTPN1 P18031 1/20 0.52
CDC25B P30305 1/20 0.52
PLK1 P53350 1/20 0.52
ALDH1A1 P00352 4/20 0.47
MAPT P10636 4/20 0.47
HPGD P15428 4/20 0.47
HTT P42858 2/20 0.47
HSP90AA1 P07900 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
PTK2B Q14289 1/20 0.46
POLB P06746 4/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
LMNA P02545 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45

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
SCHEMBL29275384 0.83 KDM4E (0.61) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL144246 0.82 NR4A1 (0.61) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL9442057 0.80 NR4A1 (0.59) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL29367164 0.77 PTPN1 (0.62) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL29414437 0.76 CDC25B (0.80) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL29494693 0.76 NR4A1 (0.71) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL244802 0.76 CDC25B (0.80) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL7218991 0.76 NR4A1 (0.71) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL14639365 0.76 ALDH1A1 (0.53) HDAC8ALDH1A1MAPTHPGDL3MBTL1
SCHEMBL22300266 0.74 NR4A1 (0.56) NR4A1NR4A2NR4A3MMP3HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138377-B2 Arylbicyclo[3.1.0]hexylamines and methods and compositions for their preparation and use DOV PHARMACEUTICAL, INC. (US) 2012-03-20 US disclosed
EP-2086328-A2 NOVEL ARYLBICYCLO[3.1.0]HEXYLAMINES AND METHODS AND COMPOSITIONS FOR THEIR PREPARATION AND USE DOV Pharmaceutical, Inc. (US) 2009-08-12 EP disclosed
US-20080293822-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use ETHISMOS RESEARCH, INC. 2008-11-27 US disclosed
US-20080269348-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use ETHISMOS RESEARCH, INC. 2008-10-30 US disclosed
US-20080194696-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use ETHISMOS RESEARCH, INC. 2008-08-14 US disclosed
WO-2008057575-A2 NOVEL ARYLBICYCLO[3.1.0]HEXYLAMINES AND METHODS AND COMPOSITIONS FOR THEIR PREPARATION AND USE DOV PHARMACEUTICAL, INC. (US) 2008-05-15 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 (3 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-20080194696-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use HTR2C, HTR1B, HTR3C NR4A1 411/4885NR4A2 632/4885NR4A3 528/4885
US-20080293822-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use HTR2C, HTR1B, HTR3C NR4A1 411/4885NR4A2 632/4885NR4A3 528/4885
US-20080269348-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use HTR2C, HTR1B, HTR3C NR4A1 411/4885NR4A2 632/4885NR4A3 528/4885

“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.