SCHEMBL4558956

SCHEMBL4558956

CC(C)C(CCc1ccccc1)(C(N)=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.46
CYP2D6 P10635 3/20 0.44
LMNA P02545 2/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
KCNH2 Q12809 1/20 0.44
CYP1A2 P05177 1/20 0.44
KDM4E B2RXH2 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.40
EPHX1 P07099 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
OPRM1 P35372 1/20 0.39
DRD3 P35462 1/20 0.39
CYP2C19 P33261 2/20 0.39

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
SCHEMBL12475196 0.83 CYP2D6 (0.46) KIF11CYP2D6LMNACHRM2CHRM1
SCHEMBL4055704 0.80 CYP2D6 (0.49) KIF11CYP2D6LMNACHRM2CHRM1
SCHEMBL27392933 0.80 KCNH2 (0.43) KIF11CYP2D6LMNACHRM2CHRM1
SCHEMBL4560574 0.76 MAPT (0.52) KIF11CYP2D6LMNACHRM2CHRM1
SCHEMBL6803588 0.74 HDAC3 (0.50) KIF11LMNAKMT2AMAPTALDH1A1
SCHEMBL4558656 0.73 HTT (0.49) KIF11CYP2D6LMNACHRM2CHRM1
SCHEMBL11084158 0.73 ALDH1A1 (0.41) KIF11CYP2D6LMNACHRM2CHRM1
SCHEMBL4558974 0.72 HTT (0.47) KIF11CYP2D6LMNACHRM2CHRM1
SCHEMBL4558966 0.72 CYP2D6 (0.44) KIF11CYP2D6LMNACHRM2CHRM1
SCHEMBL9190217 0.71 GRM2 (0.46) KIF11LMNAKMT2AMAPTALDH1A1

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 KIF11 1407/4885CYP2D6 986/4885LMNA 424/4885

“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.