SCHEMBL2413103

SCHEMBL2413103

NC1CCN(c2ncc(C(=O)O)cn2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.54
▸ RBP4 P02753 1/20 0.41
▸ CHRM4 P08173 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ MKNK1 Q9BUB5 1/20 0.40
▸ MKNK2 Q9HBH9 1/20 0.40
▸ CAMK1D Q8IU85 7/20 0.39
▸ MELK Q14680 2/20 0.38
▸ OGA O60502 1/20 0.38
▸ AOC3 Q16853 1/20 0.38
▸ DYRK1A Q13627 2/20 0.38
▸ PRKCQ Q04759 1/20 0.38
▸ PIP5K1C O60331 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ RIPK4 P57078 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ MAP2K5 Q13163 1/20 0.37
▸ CAMK1 Q14012 1/20 0.37
▸ MAP3K11 Q16584 1/20 0.37

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
SCHEMBL12193392 0.79 ACACB (0.47) POLBKDM4EOGAAOC3DYRK1A
SCHEMBL20046345 0.79 POLB (0.51) POLBRBP4CHRM4KDM4ECYP2C19
SCHEMBL25141729 0.79 POLB (0.51) POLBRBP4CHRM4KDM4ECYP2C19
SCHEMBL30022986 0.79 CAMK1D (0.53) CYP2C19CAMK1DPIP5K1CCYP2C9RIPK4
SCHEMBL1270475 0.78 POLB (0.61) POLBKDM4ECYP2C19OGA
SCHEMBL379552 0.77 POLB (0.56) POLBCHRM4KDM4ECYP2C19OGA
SCHEMBL16872992 0.77 MKNK1 (0.43) MKNK1MKNK2DYRK1A
SCHEMBL16872993 0.77 MKNK1 (0.43) MKNK1MKNK2DYRK1A
SCHEMBL950845 0.77 GRM2 (0.43) MKNK1MKNK2DYRK1A
SCHEMBL950844 0.77 GRM2 (0.43) MKNK1MKNK2DYRK1A

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-8354445-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2013-01-15 — — US disclosed
US-8030344-B2 Such as (S)-2-(Dimethylamino)ethyl-1-(4-(2-aminophenylcarbamoyl)-phenyl)pyrrolidin-3-ylcarbamate for treating cell proliferative disorders METHYLGENE INC. (CA) 2011-10-04 — — US disclosed
US-20110212965-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2011-09-01 — — US disclosed
EP-2134680-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2009-12-23 — — EP disclosed
WO-2008109994-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-09-18 — — WO disclosed
US-20080227826-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-09-18 — — 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 (2 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-20080227826-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC5 POLB 471/4885RBP4 4265/4885CHRM4 4867/4885
US-20110212965-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC5 POLB 471/4885RBP4 4265/4885CHRM4 4867/4885

“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.

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