SCHEMBL4515668

SCHEMBL4515668

CC(C)(C)OC(=O)N1CCCC(COc2cc(Cl)ccc2Cl)C1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.54
RBP4 P02753 1/20 0.50
FNTA P49354 1/20 0.49
FNTB P49356 1/20 0.49
CHEK2 O96017 1/20 0.47
ALOX5AP P20292 1/20 0.46
FEN1 P39748 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CNR1 P21554 2/20 0.44
HTR6 P50406 4/20 0.44
BCHE P06276 2/20 0.44
ANO1 Q5XXA6 2/20 0.44
ACKR3 P25106 1/20 0.44
CNR2 P34972 1/20 0.44
CYP2C9 P11712 1/20 0.42
KDM1A O60341 1/20 0.42

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
SCHEMBL4509555 0.87 SCN9A (0.54) SCN9ARBP4CHEK2ALOX5APFEN1
SCHEMBL4510139 0.87 STS (0.47) RBP4FNTAFNTBMEN1KMT2A
SCHEMBL17729089 0.85 CHEK2 (0.56) SCN9AFNTAFNTBCHEK2ALOX5AP
SCHEMBL2069204 0.82 CHEK2 (0.59) SCN9AFNTAFNTBCHEK2ALOX5AP
SCHEMBL16771013 0.81 SCN9A (0.64) SCN9ACHEK2ALOX5APFEN1
SCHEMBL16771031 0.81 SCN9A (0.64) SCN9ACHEK2ALOX5APFEN1
SCHEMBL17061869 0.81 SCN9A (0.64) SCN9ACHEK2ALOX5APFEN1
SCHEMBL3099116 0.81 RBP4 (0.67) SCN9ARBP4ALOX5APFEN1ALDH1A1
SCHEMBL4499579 0.81 RBP4 (0.53) SCN9ARBP4ALOX5APFEN1HTR6
SCHEMBL27157955 0.81 SCN9A (0.55) SCN9ARBP4CHEK2ALOX5APFEN1

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-20090325956-A1 Aromatic amine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 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-20090325956-A1 Aromatic amine derivative and use thereof SCD, SCD5, SMS SCN9A 1620/4885RBP4 1872/4885FNTA 1527/4885

“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.