SCHEMBL1002648

SCHEMBL1002648

O=c1cc(O)ccn1-c1ccc(CCN2CCCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.53
KCNH2 Q12809 9/20 0.49
HRH3 Q9Y5N1 5/20 0.49
MBTD1 Q05BQ5 1/20 0.47
L3MBTL3 Q96JM7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC6A3 Q01959 1/20 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
SCHEMBL2895511 0.81 MCHR1 (0.68) MCHR1KCNH2HRH3
SCHEMBL2890458 0.80 MCHR1 (0.68) MCHR1KCNH2HRH3
SCHEMBL1000731 0.77 MCHR1 (0.82) MCHR1KCNH2HRH3
SCHEMBL1364747 0.77 MCHR1 (0.63) MCHR1HRH3MBTD1L3MBTL3L3MBTL1
SCHEMBL13649141 0.75 HRH3 (0.68) HRH3MBTD1L3MBTL3L3MBTL1SLC6A3
SCHEMBL14100544 0.73 HRH3 (0.71) HRH3MBTD1L3MBTL3L3MBTL1SLC6A3
SCHEMBL4689587 0.73 HRH3 (0.71) HRH3MBTD1L3MBTL3L3MBTL1SLC6A3
SCHEMBL1002897 0.72 MCHR1 (0.64) MCHR1KCNH2HRH3
SCHEMBL539185 0.72 MCHR1 (0.70) MCHR1KCNH2
SCHEMBL20747933 0.71 HRH3 (0.62) HRH3MBTD1L3MBTL3L3MBTL1SLC6A3

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 MCHR1 439/4885KCNH2 781/4885HRH3 163/4885

“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.