SCHEMBL2376046

SCHEMBL2376046

COCCN(C)C(=O)C(CN1CCOCC1)N(Cc1ccc(-c2ccccn2)cc1)C(=O)/C=C/c1ccc(C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
HPGDS O60760 1/20 0.38
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
TRPV4 Q9HBA0 1/20 0.34
HTR5A P47898 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
DRD3 P35462 1/20 0.33
TACR1 P25103 1/20 0.33
TACR3 P29371 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
HDAC1 Q13547 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
SCHEMBL2376054 1.00 KEAP1 (0.38) KEAP1NFE2L2HPGDSHIF1AEPAS1
SCHEMBL2376084 0.89 HTR5A (0.38) GPR119HTR5ATRPV1KMT2ADRD3
SCHEMBL2376088 0.89 HTR5A (0.38) GPR119HTR5ATRPV1KMT2ADRD3
SCHEMBL2376092 0.89 HTR5A (0.38) GPR119HTR5ATRPV1KMT2ADRD3
SCHEMBL2376158 0.83 HTR5A (0.37) GPR119HTR5ATRPV1MEN1KMT2A
SCHEMBL2376165 0.83 HTR5A (0.37) GPR119HTR5ATRPV1MEN1KMT2A
SCHEMBL2374204 0.82 NOS3 (0.40) TRPV1HTR1ADRD2HTR2ADRD3
SCHEMBL2374202 0.82 NOS3 (0.40) TRPV1HTR1ADRD2HTR2ADRD3
SCHEMBL2374379 0.81 NOS3 (0.40) TRPV1HTR1ADRD2HTR2ADRD3
SCHEMBL2374375 0.81 NOS3 (0.40) TRPV1HTR1ADRD2HTR2ADRD3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-15 US claimed
US-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-15 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-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS CTSA, BECN1, HDAC6 KEAP1 1709/4885NFE2L2 2236/4885HPGDS 487/4885

“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.