SCHEMBL4558490

SCHEMBL4558490

CCN(C(=O)C1CCN(c2ccccc2)CC1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.55
HPGD P15428 1/20 0.51
NOTUM Q6P988 1/20 0.50
ALDH1A1 P00352 1/20 0.49
GLA P06280 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 2/20 0.48
TP53 P04637 1/20 0.47
CHRM4 P08173 1/20 0.47
HTR1A P08908 1/20 0.45
DRD4 P21917 1/20 0.45
HTR2A P28223 1/20 0.45
HTR7 P34969 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
HTR2B P41595 1/20 0.45
CCR5 P51681 1/20 0.44
CYP46A1 Q9Y6A2 1/20 0.43
ACHE P22303 1/20 0.43
SLC6A2 P23975 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
SCHEMBL9081654 0.83 CYP46A1 (0.59) NOTUMALDH1A1TSHRKMT2ACHRM4
SCHEMBL17275267 0.82 HTT (0.54) HTTHPGDALDH1A1GLATSHR
SCHEMBL7141111 0.81 HTT (0.63) HTTHPGDALDH1A1GLATSHR
SCHEMBL3747346 0.80 NOTUM (0.42) HTTHPGDNOTUMALDH1A1KMT2A
SCHEMBL4889125 0.79 NOTUM (0.58) NOTUMKMT2ACHRM4CYP46A1ME3
SCHEMBL22634139 0.79 NOTUM (0.58) NOTUMKMT2ACHRM4HTR2AHTR2B
SCHEMBL8459686 0.79 OPRM1 (0.60) ALDH1A1TSHRKMT2ADRD4HTR2A
SCHEMBL8143948 0.76 MAPKAPK2 (0.48) HPGDALDH1A1TSHRKMT2ACCR5
SCHEMBL28248138 0.75 NOTUM (0.54) NOTUMKMT2ACHRM4HTR2AHTR2B
SCHEMBL3551935 0.75 POLB (0.68) HTTNOTUMALDH1A1TSHRKMT2A

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 1010/4885HPGD 215/4885NOTUM 2227/4885

“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.