SCHEMBL4560442

SCHEMBL4560442

O=C(C1CCOCC1)N(CCc1ccccc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.63
ACHE P22303 1/20 0.48
ALDH1A1 P00352 2/20 0.47
CHRM1 P11229 6/20 0.46
CHRM3 P20309 6/20 0.46
CHRM2 P08172 2/20 0.46
MLYCD O95822 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CCR5 P51681 2/20 0.44
CHRM5 P08912 5/20 0.43
LMNA P02545 3/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
FKBP1A P62942 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL4969869 0.75 HTT (0.63) HTTACHECHRM3CHRM2MEN1
SCHEMBL29273235 0.73 LMNA (0.49) HTTMEN1KMT2ALMNAKDM4E
SCHEMBL1190641 0.72 POLB (0.61) HTTALDH1A1MEN1KMT2AKDM4E
SCHEMBL2724136 0.71 HTT (0.71) HTTACHEALDH1A1CHRM3CHRM2
SCHEMBL4153728 0.71 ACHE (0.52) HTTACHEALDH1A1CHRM1CHRM3
SCHEMBL27776801 0.71 NPC1 (0.47) HTTALDH1A1CHRM1CHRM3CHRM2
SCHEMBL30680668 0.70 HTT (0.64) HTTACHEALDH1A1MEN1KMT2A
SCHEMBL30475562 0.70 POLB (0.69) ALDH1A1MEN1KMT2ALMNAKDM4E
SCHEMBL18930513 0.70 HTT (0.73) HTTACHEALDH1A1MEN1KMT2A
SCHEMBL6965223 0.70 HTT (0.51) HTTACHECHRM1CHRM3CHRM2

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-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 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-20090181943-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC3 HTT 1010/4885ACHE 1885/4885ALDH1A1 532/4885

“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.