SCHEMBL13705285

SCHEMBL13705285

CC(=O)c1ccc(NCC[C@@H]2CN(C(=O)OCc3ccccc3)CCN2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.45
CYP2D6 P10635 3/20 0.45
CYP2C9 P11712 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CXCR4 P61073 1/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
CA9 Q16790 2/20 0.40
CYP2C19 P33261 1/20 0.40
USP30 Q70CQ3 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
FLT3 P36888 1/20 0.39

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
SCHEMBL13705274 0.91 GRIN2B (0.50) GRIN2BCYP2D6CYP2C9SMN1; SMN2NPC1
SCHEMBL8116637 0.90 CCR3 (0.44) GRIN2BCYP2D6CYP2C9SMN1; SMN2NPC1
SCHEMBL13705286 0.85 P2RY1 (0.46) GRIN2BCYP2D6CYP2C9SMN1; SMN2NPC1
SCHEMBL4284858 0.84 CA1 (0.42) SMN1; SMN2NPC1RAB9ACA1CA2
SCHEMBL13705290 0.82 GRIN2B (0.45) GRIN2BCYP2D6CYP2C9SMN1; SMN2NPC1
SCHEMBL8112938 0.81 SMN1; SMN2 (0.50) GRIN2BCYP2D6CYP2C9SMN1; SMN2NPC1
SCHEMBL29901356 0.79 SMN1; SMN2 (0.51) GRIN2BCYP2D6CYP2C9SMN1; SMN2NPC1
SCHEMBL13705351 0.79 PDE4B (0.41) GRIN2BCYP2D6CYP2C9SMN1; SMN2NPC1
SCHEMBL8124038 0.78 XIAP (0.43) GRIN2BCYP2D6CYP2C9SMN1; SMN2NPC1
SCHEMBL10991705 0.78 SMN1; SMN2 (0.52) GRIN2BCYP2D6CYP2C9SMN1; SMN2NPC1

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
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 GRIN2B 3673/4885CYP2D6 173/4885CYP2C9 40/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT GRIN2B 3673/4885CYP2D6 173/4885CYP2C9 40/4885

“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.