SCHEMBL4153904

SCHEMBL4153904

O=C(O)N1CCCC[C@H]1Cc1cn2cc(C(F)(F)F)ccc2n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.42
OPRD1 P41143 1/20 0.42
METTL3 Q86U44 1/20 0.39
DAGLA Q9Y4D2 3/20 0.39
ABHD6 Q9BV23 2/20 0.39
HRH3 Q9Y5N1 4/20 0.38
KCNH2 Q12809 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
GFER P55789 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RCE1 Q9Y256 1/20 0.38

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
SCHEMBL2120840 0.87 METTL3 (0.47) MCHR1OPRD1METTL3KDM4ENPC1
SCHEMBL2121815 0.80 HCRTR1 (0.54)
SCHEMBL27808115 0.80 KDM4E (0.54) DAGLAABHD6KDM4EALDH1A1HPGD
SCHEMBL4163082 0.80 KDM4E (0.54) DAGLAABHD6KDM4EALDH1A1HPGD
SCHEMBL8160277 0.80 HCRTR2 (0.38) MCHR1METTL3DAGLAABHD6
SCHEMBL4176007 0.77 KDM4E (0.39) OPRD1DAGLAABHD6KDM4EALDH1A1
SCHEMBL3470831 0.77 ALDH1A1 (0.39) DAGLAABHD6KDM4ENPC1ALDH1A1
SCHEMBL2120937 0.73 METTL3 (0.44) OPRD1METTL3HRH3KDM4EALDH1A1
SCHEMBL4165845 0.73 KDM4E (0.41) DAGLAABHD6KDM4ENPC1ALDH1A1
SCHEMBL14893389 0.73 OPRD1 (0.54) OPRD1DAGLAABHD6HRH3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090022670-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-01-22 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-20090022670-A1 NOVEL COMPOUNDS UGT1A1, UGT2B7, ABCB1 MCHR1 3773/4885OPRD1 8/4885METTL3 4607/4885

“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.