SCHEMBL1002188

SCHEMBL1002188

CC(C)N(C)C/C=C/c1ccc(-n2ccc(/C=C/c3ccccc3)cc2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.39
MCHR1 Q99705 3/20 0.38
KCNH2 Q12809 2/20 0.38
EPOR P19235 1/20 0.36
PPARA Q07869 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NR1I2 O75469 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA2C P18825 1/20 0.35
CNR1 P21554 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1A P35348 1/20 0.35
OPRK1 P41145 1/20 0.35
SLC6A3 Q01959 1/20 0.35
EBP Q15125 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL1002191 1.00 PPARG (0.39) PPARGMCHR1KCNH2EPORPPARA
SCHEMBL1002189 1.00 PPARG (0.39) PPARGMCHR1KCNH2EPORPPARA
SCHEMBL1002893 0.90 MAOA (0.36) ALDH1A1CYP1A2CYP2C19KDM4E
SCHEMBL1002892 0.90 MAOA (0.36) ALDH1A1CYP1A2CYP2C19KDM4E
SCHEMBL1002891 0.90 MAOA (0.36) ALDH1A1CYP1A2CYP2C19KDM4E
SCHEMBL1000690 0.85 KCNH2 (0.41) PPARGMCHR1KCNH2NR1I2DRD2
SCHEMBL1000688 0.85 KCNH2 (0.41) PPARGMCHR1KCNH2NR1I2DRD2
SCHEMBL1000689 0.85 KCNH2 (0.41) PPARGMCHR1KCNH2NR1I2DRD2
SCHEMBL1001458 0.79 HDAC3 (0.41) ALDH1A1LMNAHTTKMT2AHDAC3
SCHEMBL1001459 0.79 HDAC3 (0.41) ALDH1A1LMNAHTTKMT2AHDAC3

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 PPARG 304/4885MCHR1 439/4885KCNH2 781/4885

“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.