SCHEMBL5585628

SCHEMBL5585628

CN(C)CCOc1ncccc1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.51
MAPK14 Q16539 1/20 0.51
DRD2 P14416 1/20 0.51
DRD1 P21728 1/20 0.51
DRD4 P21917 1/20 0.51
DRD5 P21918 1/20 0.51
HTR7 P34969 3/20 0.49
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTR2A P28223 1/20 0.44
HRH1 P35367 2/20 0.43
ABCB1 P08183 1/20 0.43
HTR1B P28222 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
KAT2B Q92831 1/20 0.43
MCHR1 Q99705 1/20 0.43
GRM5 P41594 1/20 0.42

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
SCHEMBL5585706 0.85 LTA4H (0.50) LTA4HMAPK14MAPTMAPK1TDP1
SCHEMBL5585323 0.83 DRD2 (0.66) LTA4HDRD2DRD1DRD4DRD5
SCHEMBL8526782 0.83 LTA4H (0.66) LTA4HMAPK14DRD2MAPTMAPK1
SCHEMBL238407 0.79 HTR7 (0.53) DRD2DRD1DRD4DRD5HTR7
SCHEMBL14514408 0.79 LTA4H (0.60) LTA4HMAPK14DRD2MAPTMAPK1
SCHEMBL5520225 0.75 LTA4H (0.51) LTA4HMAPK14MAPTMAPK1TDP1
SCHEMBL9824302 0.74 LTA4H (0.58) LTA4HMAPK14DRD2MAPTMAPK1
SCHEMBL2477100 0.73 LTA4H (0.75) LTA4HMAPTL3MBTL1CHRNB2CHRNA4
SCHEMBL19597443 0.73 CHRNB2 (0.51) LTA4HDRD2DRD1DRD4DRD5
SCHEMBL5585616 0.72 KDM4E (0.47) HTR7HRH1HTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7226925-B2 Compounds, their use and preparation BIOVITRUM AB (SE) 2007-06-05 US disclosed
EP-1513831-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION Biovitrum AB (SE) 2005-03-16 EP disclosed
US-20040029888-A1 Novel compounds, their use and preparation PROXIMAGEN NEUROSCIENCE PLC (GB) 2004-02-12 US disclosed
WO-2004000830-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB (SE) 2003-12-31 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 (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-20040029888-A1 Novel compounds, their use and preparation TPH1, TPH2, HTR1A LTA4H 387/4885MAPK14 3456/4885DRD2 42/4885

“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.