SCHEMBL13705463

SCHEMBL13705463

COC(=O)N[C@H]1CCCC[C@@H]1n1cnc(C(=O)N2CCNC[C@H]2CCOc2cc(F)cc(F)c2)c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 7/20 0.43
HCRTR2 O43614 7/20 0.43
CHRM3 P20309 6/20 0.34
CHEK2 O96017 1/20 0.32
USP19 O94966 2/20 0.32
F2R P25116 1/20 0.32

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
SCHEMBL13705413 0.95 HCRTR1 (0.41) HCRTR1HCRTR2CHRM3
SCHEMBL8127338 0.95 HCRTR1 (0.41) HCRTR1HCRTR2CHRM3
SCHEMBL4283473 0.95 HCRTR1 (0.44) HCRTR1HCRTR2CHRM3CHEK2
SCHEMBL13705412 0.95 HCRTR1 (0.43) HCRTR1HCRTR2CHRM3F2R
SCHEMBL13705462 0.94 HCRTR1 (0.40) HCRTR1HCRTR2CHRM3
SCHEMBL13705418 0.92 HCRTR1 (0.42) HCRTR1HCRTR2CHRM3CHEK2USP19
SCHEMBL8118892 0.92 HCRTR1 (0.42) HCRTR1HCRTR2CHRM3CHEK2USP19
SCHEMBL13705414 0.92 HCRTR1 (0.38) HCRTR1HCRTR2CHRM3CHEK2USP19
SCHEMBL4750260 0.91 HCRTR1 (0.39) HCRTR1HCRTR2CHRM3
SCHEMBL8124697 0.91 HCRTR1 (0.43) HCRTR1HCRTR2CHRM3CHEK2USP19

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 3 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
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 3136/4885CHRM3 3197/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885CHRM3 3197/4885

“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.