SCHEMBL4287377

SCHEMBL4287377

Cc1nc2ccc(OCC[C@@H]3CNCCN3C(=O)c3ncn([C@H]4CCCC[C@@H]4NC(=O)O)c3-c3ccccc3)c(C)c2o1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.36
HCRTR2 O43614 6/20 0.36
CHEK2 O96017 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL13705457 0.95 HCRTR1 (0.34) HCRTR1HCRTR2KDM4EALDH1A1
SCHEMBL4290209 0.88 HCRTR2 (0.41) HCRTR1HCRTR2CHEK2
SCHEMBL4295236 0.87 HCRTR1 (0.35) HCRTR1HCRTR2CHEK2
SCHEMBL4288806 0.86 HCRTR1 (0.39) HCRTR1HCRTR2KDM4EALDH1A1
SCHEMBL4284128 0.86 HCRTR1 (0.40) HCRTR1HCRTR2CHEK2
SCHEMBL13705461 0.85 HCRTR2 (0.39) HCRTR1HCRTR2CHEK2
SCHEMBL4287053 0.85 HCRTR1 (0.34) HCRTR1HCRTR2
SCHEMBL4293415 0.84 HCRTR1 (0.44) HCRTR1HCRTR2CHEK2ALDH1A1
SCHEMBL4295398 0.84 HCRTR1 (0.42) HCRTR1HCRTR2KDM4EALDH1A1
SCHEMBL4288875 0.83 HCRTR1 (0.43) HCRTR1HCRTR2

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-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885CHEK2 3289/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885CHEK2 3289/4885

“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.