SCHEMBL4281708

SCHEMBL4281708

O=C(O)N1CCN(Cc2ccccc2)C[C@H]1Cc1ccc(N2CCOCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA4 P22748 2/20 0.52
CA9 Q16790 2/20 0.52
DPP4 P27487 1/20 0.48
DPP7 Q9UHL4 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
ADRA2A P08913 2/20 0.47
ADRA2B P18089 2/20 0.47
TMEM97 Q5BJF2 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
ADRA2C P18825 1/20 0.47
GAA P10253 2/20 0.47
HTR2B P41595 2/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL3494525 0.87 CA1 (0.63) CA1CA2CA4CA9DPP4
SCHEMBL13705077 0.86 NR1H2 (0.54) CA1CA2CA4CA9DPP4
SCHEMBL4295527 0.85 DPP4 (0.46) CA1CA2CA4CA9DPP4
SCHEMBL3495202 0.83 CA2 (0.57) CA1CA2CA4CA9DPP4
SCHEMBL4287508 0.82 CA1 (0.56) CA1CA2CA4CA9DPP4
SCHEMBL3492288 0.81 CA1 (0.54) CA1CA2CA4CA9DPP4
SCHEMBL3493063 0.77 CA1 (0.61) CA1CA2CA4CA9DPP4
SCHEMBL5539406 0.77 CA1 (0.61) CA1CA2CA4CA9DPP4
SCHEMBL5539410 0.77 CA1 (0.61) CA1CA2CA4CA9DPP4
SCHEMBL2753820 0.77 CA1 (0.64) 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 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
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.