SCHEMBL13304556

SCHEMBL13304556

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

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 1/20 0.42
GPR119 Q8TDV5 1/20 0.40
CHRM4 P08173 10/20 0.39
SIGMAR1 Q99720 1/20 0.39
CHRM2 P08172 2/20 0.37
PRKAA2 P54646 1/20 0.36
POLB P06746 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
SCHEMBL13327800 0.91 CHRM4 (0.37) ITGALGPR119CHRM4POLB
SCHEMBL13304568 0.91 HDAC6 (0.47) CHRM4
SCHEMBL13304550 0.89 GPR119 (0.41) GPR119CHRM4SIGMAR1
SCHEMBL13304530 0.87 ITGAL (0.41) ITGALGPR119CHRM4SIGMAR1CHRM2
SCHEMBL8249401 0.83 GPR119 (0.37) GPR119CHRM4SIGMAR1PRKAA2
SCHEMBL13304552 0.82 CHRM4 (0.41) GPR119CHRM4
SCHEMBL13328356 0.82 HDAC6 (0.47)
SCHEMBL13304563 0.79 HDAC6 (0.48) PRKAA2
SCHEMBL13304564 0.79 HDAC6 (0.54)
SCHEMBL13304529 0.79 ELANE (0.41) GPR119PRKAA2

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 ITGAL 3662/4885GPR119 1042/4885CHRM4 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.