SCHEMBL4290981

SCHEMBL4290981

CN(C)C(=O)N[C@H]1CCCC[C@@H]1n1cnc(C(=O)N2CCNC[C@H]2Cc2cc(F)cc(F)c2)c1-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA4 P22748 2/20 0.35
CA9 Q16790 2/20 0.35
HCRTR1 O43613 9/20 0.34
HCRTR2 O43614 9/20 0.34
DPP4 P27487 4/20 0.34
DPP7 Q9UHL4 2/20 0.34
REN P00797 2/20 0.33
CYP3A4 P08684 1/20 0.32
SCD5 Q86SK9 1/20 0.32
USP19 O94966 2/20 0.32
TSPO P30536 1/20 0.32
OPRK1 P41145 1/20 0.32
HTR2B P41595 1/20 0.32
FFAR4 Q5NUL3 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
SCHEMBL4284834 0.93 CA1 (0.38) CA1CA2CA4CA9HCRTR1
SCHEMBL8114846 0.91 CA1 (0.36) CA1CA2CA4CA9HCRTR1
SCHEMBL13705422 0.91 CA1 (0.35) CA1CA2CA4CA9HCRTR1
SCHEMBL4283213 0.91 CA1 (0.35) CA1CA2CA4CA9HCRTR1
Malonic Acid SCHEMBL4283461 0.91 CA1 (0.36) CA1CA2CA4CA9HCRTR1
Succinic Acid SCHEMBL4294417 0.90 CA1 (0.36) CA1CA2CA4CA9HCRTR1
SCHEMBL4281817 0.89 CA1 (0.34) CA1CA2CA4CA9HCRTR1
SCHEMBL8131730 0.89 HCRTR1 (0.35) CA1CA2CA4CA9HCRTR1
SCHEMBL13705428 0.89 CA1 (0.37) CA1CA2CA4CA9HCRTR1
SCHEMBL13705432 0.89 CA1 (0.34) CA1CA2CA4CA9HCRTR1

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 4 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-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 CA1 2275/4885CA2 218/4885CA4 296/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT CA1 2275/4885CA2 218/4885CA4 296/4885

“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.