SCHEMBL13304550

SCHEMBL13304550

CCOC(=O)c1cnc(N2CCC(CN3C(=O)N(c4ccc(C#N)cc4)C(=O)C3C)CC2)nc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.41
USP14 P54578 4/20 0.37
CHRM4 P08173 4/20 0.37
OGA O60502 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
DGAT2 Q96PD7 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HSP90AA1 P07900 2/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ELANE P08246 3/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL13304556 0.89 ITGAL (0.42) GPR119CHRM4SIGMAR1
SCHEMBL13304529 0.88 ELANE (0.41) GPR119ALDH1A1NPSR1ELANEMAPK1
SCHEMBL13304568 0.87 HDAC6 (0.47) CHRM4
SCHEMBL13327800 0.80 CHRM4 (0.37) GPR119CHRM4
SCHEMBL8249401 0.80 GPR119 (0.37) GPR119CHRM4SIGMAR1DGAT2
SCHEMBL13304552 0.80 CHRM4 (0.41) GPR119USP14CHRM4DGAT2
SCHEMBL13328356 0.78 HDAC6 (0.47)
SCHEMBL13304530 0.77 ITGAL (0.41) GPR119CHRM4SIGMAR1
SCHEMBL13304563 0.74 HDAC6 (0.48)
SCHEMBL13304564 0.74 HDAC6 (0.54)

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-20100160321-A1 IMIDAZOLINONE AND HYDANTOINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-24 US disclosed
US-20100160321-A1 IMIDAZOLINONE AND HYDANTOINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-24 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-20100160321-A1 IMIDAZOLINONE AND HYDANTOINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC2, HDAC3 GPR119 1042/4885USP14 1594/4885CHRM4 3895/4885

“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.