SCHEMBL4752441

SCHEMBL4752441

CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1n1cnc(C(=O)N2CCN(Cc3ccccc3)C[C@H]2Cc2cc(F)cc(F)c2)c1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
CA9 Q16790 2/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
DPP4 P27487 2/20 0.34
DPP7 Q9UHL4 1/20 0.34
ROCK1 Q13464 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
NSD2 O96028 1/20 0.33
F2R P25116 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
NPY5R Q15761 3/20 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
SCHEMBL4752923 0.94 CA1 (0.40) CA1CA2CA4CA9KMT2A
SCHEMBL13705173 0.91 CA1 (0.36) CA1CA2CA4CA9L3MBTL1
SCHEMBL4286453 0.90 CA1 (0.39) CA1CA2CA4CA9SIGMAR1
SCHEMBL4752935 0.88 CA1 (0.43) CA1CA2CA4CA9DPP4
SCHEMBL4752317 0.87 CA1 (0.34) CA1CA2CA4CA9KMT2A
SCHEMBL13705205 0.85 CA1 (0.41) CA1CA2CA4CA9L3MBTL1
SCHEMBL4284624 0.85 CA1 (0.41) CA1CA2CA4CA9SIGMAR1
SCHEMBL4752660 0.84 CA1 (0.40) CA1CA2CA4CA9DPP4
SCHEMBL4293929 0.84 CA1 (0.42) CA1CA2CA4CA9SIGMAR1
SCHEMBL4293386 0.84 CA1 (0.45) CA1CA2CA4CA9DPP4

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 5 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
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO 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.