SCHEMBL4176007

SCHEMBL4176007

O=C(O)N1CCCC[C@H]1Cc1cn2cccc(C(F)(F)F)c2n1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
ALDH1A1 P00352 2/20 0.39
DAGLA Q9Y4D2 8/20 0.38
ABHD6 Q9BV23 6/20 0.38
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTR2B P41595 1/20 0.35
MAPK14 Q16539 1/20 0.35
RBP4 P02753 1/20 0.35
OPRD1 P41143 1/20 0.34

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
SCHEMBL2122898 0.87 METTL3 (0.43) KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL4165845 0.86 KDM4E (0.41) KDM4EHPGDHSD17B10ALDH1A1DAGLA
SCHEMBL3676086 0.84 KDM4E (0.56) KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL2123467 0.81 HCRTR1 (0.54) HTR2B
SCHEMBL8151706 0.81 KDM4E (0.36) KDM4EHPGDHSD17B10ALDH1A1DAGLA
SCHEMBL2616557 0.79 HCRTR1 (0.57)
SCHEMBL27808115 0.78 KDM4E (0.54) KDM4EHPGDHSD17B10ALDH1A1DAGLA
SCHEMBL4163082 0.78 KDM4E (0.54) KDM4EHPGDHSD17B10ALDH1A1DAGLA
SCHEMBL8142375 0.78 KDM4E (0.35) KDM4EHPGDHSD17B10ALDH1A1DAGLA
SCHEMBL4153904 0.77 MCHR1 (0.42) KDM4EHPGDALDH1A1DAGLAABHD6

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 KDM4E 3080/4885HPGD 1940/4885HSD17B10 2796/4885

“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.