SCHEMBL5534349

SCHEMBL5534349

CCCC(C)(C)NOC1C(=O)CCc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP3A4 P08684 1/20 0.33
HIF1A Q16665 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
HTT P42858 1/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
BCHE P06276 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ACHE P22303 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR6 P50406 1/20 0.33
RET P07949 1/20 0.33
HTR2A P28223 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL941280 0.72 CYP3A4 (0.38) CHRNA7CYP2D6CYP3A4HIF1ACHRNB2
SCHEMBL3976186 0.71 CHRNA7 (0.43) CHRNA7CYP2D6CYP3A4HIF1ACHRNB2
SCHEMBL942484 0.71 ANPEP (0.38) CHRNA7CYP2D6CYP3A4HIF1ACHRNB2
SCHEMBL5532751 0.70 ACHE (0.42) ACHEMAPT
SCHEMBL14019230 0.67 PDPK1 (0.39) CYP2D6CYP3A4HIF1ARETHTR2A
SCHEMBL5533001 0.67 CCR2 (0.31)
SCHEMBL5534351 0.66
SCHEMBL5534545 0.65 CCR2 (0.30) POLB
SCHEMBL1870242 0.65 HTR2A (0.53) ADRA2BADRA2CADRA1ARETHTR2A
SCHEMBL13447594 0.64 HTR2A (0.47) CHRNA7CYP2D6CYP3A4HIF1ACHRNB2

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-20070055081-A1 Processes for production of alpha-aminooxyketones and alpha-hydroxyketones JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-03-08 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-20070055081-A1 Processes for production of alpha-aminooxyketones and alpha-hydroxyketones KHK, HCCS, XDH CHRNA7 2768/4885CYP2D6 345/4885CYP3A4 231/4885

“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.