SCHEMBL4290754

SCHEMBL4290754

O=C(O)N1CCN[C@H](Cn2cccn2)C1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA4 P22748 4/20 0.34
CA9 Q16790 4/20 0.34
PARP1 P09874 2/20 0.34
ADRB1 P08588 2/20 0.33
HTT P42858 1/20 0.32
REN P00797 3/20 0.32
GFER P55789 1/20 0.32
FDPS P14324 1/20 0.31
CACNA2D1 P54289 1/20 0.31
CACNA1B Q00975 1/20 0.31
CACNB1 Q02641 1/20 0.31
TAAR1 Q96RJ0 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
SCHEMBL8115428 0.82 MAPK1 (0.40)
SCHEMBL4287716 0.78 EGLN3 (0.39) CA1CA2CA4CA9ADRB1
SCHEMBL15812296 0.77 L3MBTL1 (0.32)
SCHEMBL25412012 0.76 ENPP2 (0.38) HTTGFERFDPS
SCHEMBL4983491 0.76 ALDH1A1 (0.41) ADRB1
SCHEMBL4285907 0.76 ALDH1A1 (0.41) ADRB1
SCHEMBL4285903 0.76 ALDH1A1 (0.41) ADRB1
SCHEMBL4282115 0.75 CA1 (0.35) CA1CA2CA4CA9PARP1
SCHEMBL2572035 0.75 HTT (0.37) HTTGFERFDPS
SCHEMBL20297422 0.74 GFER (0.41) GFER

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.