SCHEMBL5909488

SCHEMBL5909488

CC(C)(C)/C=C/c1ccc(C(=O)NC2CCCc3ccccc32)cc1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 6/20 0.73
TAS1R1 Q7RTX1 6/20 0.73
HTT P42858 1/20 0.66
LMNA P02545 3/20 0.64
KMT2A Q03164 3/20 0.64
ALDH1A1 P00352 6/20 0.64
KDM4E B2RXH2 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.60
MEN1 O00255 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.57
CYP2D6 P10635 1/20 0.56
TAS1R2 Q8TE23 3/20 0.55
TSHR P16473 1/20 0.55

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
SCHEMBL5909489 1.00 TAS1R3 (0.73) TAS1R3TAS1R1HTTLMNAKMT2A
SCHEMBL703277 0.85 TAS1R3 (1.00) TAS1R3TAS1R1HTTLMNAKMT2A
SCHEMBL703278 0.85 TAS1R3 (1.00) TAS1R3TAS1R1HTTLMNAKMT2A
SCHEMBL5909418 0.84 TAS1R3 (0.70) TAS1R3TAS1R1HTTLMNAKMT2A
SCHEMBL5909421 0.84 TAS1R3 (0.70) TAS1R3TAS1R1HTTLMNAKMT2A
SCHEMBL13988502 0.83 TAS1R3 (0.69) TAS1R3TAS1R1HTTLMNAKMT2A
SCHEMBL5909220 0.83 HTT (0.67) TAS1R3TAS1R1HTTLMNAKMT2A
SCHEMBL5909218 0.83 HTT (0.67) TAS1R3TAS1R1HTTLMNAKMT2A
SCHEMBL5909221 0.83 HTT (0.67) TAS1R3TAS1R1HTTLMNAKMT2A
SCHEMBL6572555 0.82 LMNA (0.82) TAS1R3TAS1R1HTTLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2006-08-31 US claimed
US-20080312237-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. 2008-12-18 US disclosed
US-20080312237-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. 2008-12-18 US disclosed
US-7432281-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2008-10-07 US disclosed
US-7432281-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2008-10-07 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 (2 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-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 TAS1R3 1338/4885TAS1R1 1582/4885HTT 3330/4885
US-20080312237-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 TAS1R3 1338/4885TAS1R1 1582/4885HTT 3330/4885

“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.