SCHEMBL1750144

SCHEMBL1750144

CN(C(=O)O)C1CCN(c2ccc(N)cc2C(F)(F)F)C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EML4 Q9HC35 1/20 0.43
ALK Q9UM73 1/20 0.43
GAA P10253 2/20 0.42
HSD11B1 P28845 9/20 0.40
NOTUM Q6P988 3/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
SLC9A1 P19634 1/20 0.38
JAK3 P52333 1/20 0.38
NR1H2 P55055 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
NR4A1 P22736 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL1749219 0.86 ALDH1A1 (0.45) GAANOTUMMAPTSMN1; SMN2ALDH1A1
SCHEMBL1749216 0.86 ALDH1A1 (0.45) GAANOTUMMAPTSMN1; SMN2ALDH1A1
SCHEMBL274575 0.85 EML4 (0.47) EML4ALKGAAHSD11B1TP53
SCHEMBL17135166 0.85 EML4 (0.47) EML4ALKGAAHSD11B1TP53
SCHEMBL1749402 0.84 GAA (0.47) GAAMAPTALDH1A1HTTKDM4E
SCHEMBL1749232 0.83 GAA (0.41) GAANOTUMMAPTALDH1A1HTT
SCHEMBL2171157 0.81 ALDH1A1 (0.41) GAAALDH1A1HTTNR4A1
SCHEMBL1750586 0.81 GAA (0.43) GAAMAPTJAK3KDM4EHSD17B10
SCHEMBL1749278 0.81 GAA (0.40) GAANOTUMMAPTALDH1A1HTT
SCHEMBL20374353 0.80 ALDH1A1 (0.49) EML4ALKGAAHSD11B1NOTUM

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-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-04 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-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments CYP11B2, CYP11B1, CYP1A1 EML4 2557/4885ALK 2479/4885GAA 1379/4885

“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.