SCHEMBL4561863

SCHEMBL4561863

CCCOC(C(N)=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.51
CHRM1 P11229 3/20 0.51
CHRM3 P20309 3/20 0.51
KCNH2 Q12809 2/20 0.51
MLNR O43193 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HRH1 P35367 1/20 0.51
OPRM1 P35372 1/20 0.51
DRD3 P35462 1/20 0.51
OPRK1 P41145 1/20 0.51
HTR2B P41595 1/20 0.51
SLC6A3 Q01959 1/20 0.51
CACNA1C Q13936 1/20 0.51
KMT2A Q03164 2/20 0.48
MAPT P10636 1/20 0.48
LMNA P02545 5/20 0.44
CYP2D6 P10635 4/20 0.43
CYP3A4 P08684 3/20 0.43
ALDH1A1 P00352 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
SCHEMBL4561507 0.87 CYP2D6 (0.50) CHRM2CHRM1CHRM3KCNH2MLNR
SCHEMBL2443032 0.85 CHRM2 (0.54) CHRM2CHRM1CHRM3KCNH2MLNR
Hydrochloric Acid SCHEMBL4541197 0.84 CHRM2 (0.52) CHRM2CHRM1CHRM3KCNH2MLNR
SCHEMBL15310068 0.81 CYP3A4 (0.58) CHRM2CHRM1CHRM3KCNH2MLNR
SCHEMBL20293767 0.81 MAPT (0.47) CHRM2CHRM1CHRM3KCNH2MLNR
SCHEMBL7556087 0.81 KMT2A (0.47) CHRM2CHRM1CHRM3KCNH2MLNR
SCHEMBL8717382 0.79 KMT2A (0.44) SLC6A3KMT2AMAPTCYP2D6ALDH1A1
SCHEMBL9256005 0.78 KMT2A (0.44) CHRM2CHRM1CHRM3KCNH2MLNR
SCHEMBL3905516 0.77 MAPT (0.55) CHRM2CHRM1CHRM3KCNH2KMT2A
SCHEMBL4298978 0.76 LMNA (0.46) CHRM2CHRM1CHRM3KCNH2MLNR

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 CHRM2 1506/4885CHRM1 919/4885CHRM3 2135/4885

“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.