SCHEMBL4170825

SCHEMBL4170825

O=C(O)N1CCCC[C@H]1Cc1nc2c(F)cccn2c1I

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.39
DAGLA Q9Y4D2 11/20 0.35
DAGLB Q8NCG7 1/20 0.35
ABHD6 Q9BV23 7/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD11B1 P28845 1/20 0.34
CPT2 P23786 1/20 0.33
CPT1A P50416 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
SCHEMBL3472074 0.88 SMN1; SMN2 (0.38) DAGLAMEN1NPC1RAB9AKMT2A
SCHEMBL4163254 0.88 DPP4 (0.39) DPP4DAGLADAGLBABHD6MEN1
SCHEMBL2124842 0.86 PDE8B (0.40) DAGLAMEN1KMT2A
SCHEMBL4157352 0.82 MEN1 (0.40) DPP4DAGLAABHD6MEN1NPC1
SCHEMBL3470606 0.77 ALDH1A1 (0.39) DAGLAMEN1NPC1RAB9AKMT2A
SCHEMBL4165845 0.77 KDM4E (0.41) DPP4DAGLADAGLBABHD6MEN1
SCHEMBL4167405 0.75 ALDH1A1 (0.38) DAGLAMEN1NPC1RAB9AKMT2A
SCHEMBL2517432 0.75 PDE8B (0.41) MEN1KMT2A
SCHEMBL2120886 0.75 PDE8B (0.41) MEN1KMT2A
SCHEMBL2616581 0.71 HCRTR1 (0.58)

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 DPP4 612/4885DAGLA 4103/4885DAGLB 3924/4885

“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.