SCHEMBL4283333

SCHEMBL4283333

N#Cc1ccc(C[C@@H]2CNCCN2C(=O)c2ncn([C@H]3CCCC[C@@H]3NC(=O)O)c2-c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
CA9 Q16790 2/20 0.39
PRKAA2 P54646 4/20 0.36
REN P00797 2/20 0.35
NR3C2 P08235 1/20 0.34
PRKAB2 O43741 2/20 0.34
PRKAG1 P54619 2/20 0.34
PRKAA1 Q13131 2/20 0.34
PRKAG3 Q9UGI9 2/20 0.34
PRKAG2 Q9UGJ0 2/20 0.34
PRKAB1 Q9Y478 2/20 0.34
DPP4 P27487 3/20 0.33
KDM1A O60341 1/20 0.33
RORC P51449 1/20 0.33
CHRM1 P11229 1/20 0.33
CPT2 P23786 1/20 0.33
CPT1A P50416 1/20 0.33

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
SCHEMBL4750097 0.93 TACR1 (0.37) TACR1CA1CA2CA4CA9
SCHEMBL4281927 0.93 CA1 (0.41) CA1CA2CA4CA9REN
SCHEMBL4296474 0.93 CA1 (0.44) TACR1CA1CA2CA4CA9
SCHEMBL4283871 0.93 CA1 (0.44) TACR1CA1CA2CA4CA9
SCHEMBL4289518 0.93 CA1 (0.44) TACR1CA1CA2CA4CA9
SCHEMBL4283733 0.93 CA1 (0.44) TACR1CA1CA2CA4CA9
SCHEMBL4287655 0.91 DPP4 (0.41) CA1CA2CA4CA9PRKAA2
SCHEMBL4284763 0.89 TACR1 (0.39) TACR1CA1CA2CA4CA9
SCHEMBL4283749 0.87 DPP4 (0.38) CA1CA2CA4CA9REN
SCHEMBL4284834 0.87 CA1 (0.38) 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 2 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

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 TACR1 97/4885CA1 2275/4885CA2 218/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT TACR1 97/4885CA1 2275/4885CA2 218/4885

“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.