SCHEMBL5108912

SCHEMBL5108912

CN(CC(=O)O)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
PDK2 Q15119 2/20 0.43
MRGPRX4 Q96LA9 4/20 0.43
FFAR1 O14842 2/20 0.42
NR1H3 Q13133 2/20 0.42
PDE2A O00408 1/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
NR1H2 P55055 1/20 0.40
CYP2D6 P10635 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL8346846 0.80 PDK2 (0.51) KDM4EMAPTPDK2MRGPRX4FFAR1
SCHEMBL27617124 0.77 MAPT (0.40) KDM4EMAPTPDK2MRGPRX4FFAR1
SCHEMBL1768930 0.76 PDE2A (0.49) KDM4EMAPTPDK2MRGPRX4NR1H3
SCHEMBL5794979 0.75 L3MBTL1 (0.58) KDM4EMAPTMRGPRX4POLBKEAP1
SCHEMBL20322973 0.74 SLC6A9 (0.46) MAPTNR1H3KEAP1NFE2L2NR1H2
SCHEMBL10478884 0.73 L3MBTL1 (0.43) KDM4EMAPTMRGPRX4FFAR1ALDH1A1
SCHEMBL12276364 0.73 ESRRG (0.37) LMNAKEAP1NFE2L2ALDH1A1HTT
SCHEMBL20322772 0.73 UTS2R (0.48) MAPTPOLBALDH1A1HTT
SCHEMBL3730851 0.73 UTS2R (0.44) KDM4EPOLBALDH1A1
SCHEMBL24279582 0.71 MAPT (0.60) KDM4EMAPTPOLBGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351719-B2 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-04-01 US disclosed
US-20040152742-A1 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-08-05 US 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-20040152742-A1 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds MCHR2, MCHR1, NPY1R KDM4E 1359/4885MAPT 4346/4885PDK2 2807/4885

“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.