SCHEMBL4282115

SCHEMBL4282115

Cc1cnn(C[C@@H]2CN(C(=O)O)CCN2)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA4 P22748 4/20 0.35
CA9 Q16790 4/20 0.35
ALPI P09923 1/20 0.34
ALPG P10696 1/20 0.34
PLAA Q9Y263 1/20 0.34
REN P00797 2/20 0.33
PARP1 P09874 2/20 0.32
CRHR1 P34998 1/20 0.32
XIAP P98170 1/20 0.32
BIRC2 Q13490 1/20 0.32
GAA P10253 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ADRB1 P08588 1/20 0.32
CCR3 P51677 1/20 0.31
KHK P50053 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
SCHEMBL4285577 0.88 CA1 (0.35) CA1CA2CA4CA9ALPI
SCHEMBL13705092 0.84 PREP (0.36)
SCHEMBL30701585 0.80 JAK2 (0.31) CRHR1
SCHEMBL13733044 0.77 XIAP (0.33) ALPIALPGPLAACRHR1XIAP
SCHEMBL4290754 0.75 CA1 (0.34) CA1CA2CA4CA9REN
SCHEMBL4287716 0.75 EGLN3 (0.39) CA1CA2CA4CA9GAA
SCHEMBL4291307 0.72 LMNA (0.44) CRHR1LMNAHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL4284239 0.72 L3MBTL1 (0.38) CA1CA2CA4CA9REN
SCHEMBL15005734 0.71 REN (0.42) CA1CA2CA4CA9REN
SCHEMBL2418102 0.71 REN (0.42) CA1CA2CA4CA9REN

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.