SCHEMBL13304552

SCHEMBL13304552

CC1C(=O)N(c2ccc(C#N)cc2)C(=O)N1CC1CCN(c2ncc(C(=O)NOC3CCCCO3)cn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 10/20 0.41
GPR119 Q8TDV5 1/20 0.35
DGAT2 Q96PD7 1/20 0.35
HDAC6 Q9UBN7 3/20 0.34
HDAC1 Q13547 2/20 0.34
FASN P49327 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
USP14 P54578 1/20 0.33

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
SCHEMBL13304536 0.90 HDAC6 (0.39) CHRM4HDAC6HDAC1HDAC3HDAC4
SCHEMBL13304531 0.89 CHRM4 (0.36) CHRM4HDAC6CHRM5CHRM1CHRM3
SCHEMBL13304568 0.84 HDAC6 (0.47) CHRM4HDAC6HDAC1HDAC3HDAC4
SCHEMBL13304556 0.82 ITGAL (0.42) CHRM4GPR119
SCHEMBL13304550 0.80 GPR119 (0.41) CHRM4GPR119DGAT2USP14
SCHEMBL13328356 0.77 HDAC6 (0.47) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL15341335 0.76 KDM1A (0.39) CHRM4DGAT2HDAC6HDAC1HDAC3
SCHEMBL8249401 0.75 GPR119 (0.37) CHRM4GPR119DGAT2HDAC6HDAC1
SCHEMBL9883406 0.75 GSTP1 (0.38) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL13327800 0.74 CHRM4 (0.37) CHRM4GPR119HDAC6HDAC1

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 1 patent. 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

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 CHRM4 3895/4885GPR119 1042/4885DGAT2 4362/4885

“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.