SCHEMBL1003630

SCHEMBL1003630

Brc1ccc(C2CC(N3CCCC3)C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.58
L3MBTL3 Q96JM7 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
HRH3 Q9Y5N1 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM1A O60341 5/20 0.39
KCNH2 Q12809 2/20 0.39
MAOB P27338 2/20 0.39
RCOR1 Q9UKL0 2/20 0.39
KDM1B Q8NB78 1/20 0.39
SLC18A3 Q16572 3/20 0.39
SIGMAR1 Q99720 2/20 0.39
BRD4 O60885 1/20 0.39
MBTD1 Q05BQ5 2/20 0.38
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL447088 0.80 LTA4H (0.72) LTA4HL3MBTL3L3MBTL1HRH3CYP2D6
SCHEMBL22804546 0.76 SLC18A3 (0.61) L3MBTL3L3MBTL1HRH3CYP2D6CYP2C19
SCHEMBL31222925 0.76 SLC18A3 (0.66) L3MBTL3L3MBTL1HRH3CYP2D6CYP2C19
SCHEMBL5000672 0.75 LTA4H (0.53) LTA4HHRH3CYP2D6CYP2C19SLC18A3
SCHEMBL22804454 0.75 SLC18A3 (0.44) HRH3CYP2D6SLC18A3SIGMAR1
SCHEMBL23291497 0.74 SLC18A3 (0.55) L3MBTL3L3MBTL1HRH3CYP2D6CYP2C19
SCHEMBL31222850 0.74 SLC18A3 (0.69) L3MBTL3L3MBTL1HRH3CYP2D6CYP2C19
SCHEMBL4781131 0.73 SLC18A3 (0.49) CYP2D6SLC18A3SIGMAR1BRD4
SCHEMBL1506346 0.73 HRH3 (0.63) HRH3KCNH2
SCHEMBL1506539 0.73 HRH3 (0.63) HRH3KCNH2

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-7875633-B2 4-[(4-Chlorobenzyl)oxy]-1-(4-[(1E)-3-(methylamino)-1-propen-1-yl]phenyl)pyridin-2(1H)-one; remedy for metabolic disorders such as obesity, diabetes, hormone disorder; cardiovascular disorders (stenocardia, acute or congestive heart failure); nervous system disorders (bulimia, anxiety, epilepsy etc.) BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-01-25 US disclosed
EP-1921065-B1 PHENYLPYRIDONE DERIVATIVE BANYU PHARMA CO LTD (JP) 2010-10-20 EP disclosed
US-20090137587-A1 Phenylpyridone Derivative MSD K.K. (JP) 2009-05-28 US disclosed
EP-1921065-A1 PHENYLPYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 EP 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-20090137587-A1 Phenylpyridone Derivative NAT1, NPR1, PC LTA4H 1475/4885L3MBTL3 1178/4885L3MBTL1 466/4885

“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.