SCHEMBL1002891

SCHEMBL1002891

CC(C)N(C)C/C=C/c1ccc(-n2ccc(/C=C/c3ccc(F)cc3)cc2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ADORA2A P29274 1/20 0.36
APP P05067 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
HPGD P15428 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL1002892 1.00 MAOA (0.36) MAOAMAOBADORA2AAPPALDH1A1
SCHEMBL1002893 1.00 MAOA (0.36) MAOAMAOBADORA2AAPPALDH1A1
SCHEMBL1002191 0.90 PPARG (0.39) ALDH1A1CYP1A2CYP2C19KDM4E
SCHEMBL1002188 0.90 PPARG (0.39) ALDH1A1CYP1A2CYP2C19KDM4E
SCHEMBL1002189 0.90 PPARG (0.39) ALDH1A1CYP1A2CYP2C19KDM4E
SCHEMBL1003230 0.84 MCHR1 (0.51)
SCHEMBL1003232 0.84 MCHR1 (0.51)
SCHEMBL1000688 0.74 KCNH2 (0.41) CYP1A2CYP2C9CYP2C19KDM4ECYP3A4
SCHEMBL1000690 0.74 KCNH2 (0.41) CYP1A2CYP2C9CYP2C19KDM4ECYP3A4
SCHEMBL1000689 0.74 KCNH2 (0.41) CYP1A2CYP2C9CYP2C19KDM4ECYP3A4

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 MAOA 406/4885MAOB 240/4885ADORA2A 2656/4885

“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.