SCHEMBL5858713

SCHEMBL5858713

CC(C)(C[O])CN1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.40
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
CHRM5 P08912 1/20 0.35
CHRM3 P20309 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CXCR4 P61073 2/20 0.32
TRPV4 Q9HBA0 1/20 0.31
LMNA P02545 2/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30

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
SCHEMBL14614393 0.80 SIGMAR1 (0.37) SIGMAR1ALDH1A1HTTCHRM5CHRM3
SCHEMBL19466429 0.78 CYP2D6 (0.38) SIGMAR1ALDH1A1HTTCHRM5CHRM3
SCHEMBL5858718 0.78 SIGMAR1 (0.40) SIGMAR1ALDH1A1HTTCHRM5CHRM3
SCHEMBL20333626 0.78 SIGMAR1 (0.36) SIGMAR1ALDH1A1HTTCHRM5CHRM3
SCHEMBL5857647 0.77 TSHR (0.36) SIGMAR1ALDH1A1HTTSMN1; SMN2POLB
SCHEMBL8501828 0.77 SIGMAR1 (0.39) SIGMAR1ALDH1A1HTTCHRM5CHRM3
SCHEMBL1104721 0.77 SIGMAR1 (0.44) SIGMAR1ALDH1A1HTTCHRM5CHRM3
SCHEMBL2637094 0.76 FFAR1 (0.44) SIGMAR1ALDH1A1HTTCHRM5CHRM3
SCHEMBL20463234 0.75 SIGMAR1 (0.34) SIGMAR1ALDH1A1HTTCHRM5CHRM3
SCHEMBL19964337 0.75 SIGMAR1 (0.34) SIGMAR1ALDH1A1HTTCHRM5CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7112594-B2 Fused bicyclic amide compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-09-26 US disclosed
US-7015218-B1 Amide compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-03-21 US disclosed
EP-1176140-B1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP disclosed
US-20030203909-A1 Fused bicyclic amide compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-10-30 US disclosed
EP-1310488-A1 FUSED BICYCLIC AMIDE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-05-14 EP disclosed
EP-1176140-A1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2002-01-30 EP 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-20030203909-A1 Fused bicyclic amide compounds and medicinal use thereof BET1, NFATC1, ARG1 SIGMAR1 489/4885ALDH1A1 902/4885HTT 3066/4885

“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.