SCHEMBL13705271

SCHEMBL13705271

CN(CC[C@@H]1CN(C(=O)OCc2ccccc2)CCN1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTR2C P28335 1/20 0.41
HTT P42858 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
GRIN2B Q13224 1/20 0.39
GLA P06280 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE4B Q07343 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
SCHEMBL8112938 0.85 SMN1; SMN2 (0.50) CXCR4SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL4285211 0.84 CA1 (0.39) MEN1KMT2ACYP2D6CA1CA2
SCHEMBL29901356 0.83 SMN1; SMN2 (0.51) CXCR4SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL31701275 0.82 SMN1; SMN2 (0.52) CXCR4SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL10991705 0.82 SMN1; SMN2 (0.52) CXCR4SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL13705175 0.81 CXCR4 (0.49) CXCR4SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL1624293 0.81 SMN1; SMN2 (0.53) CXCR4SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL13202732 0.81 SMN1; SMN2 (0.53) CXCR4SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL2420322 0.80 SMN1; SMN2 (0.50) CXCR4SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL31535554 0.80 SMN1; SMN2 (0.50) CXCR4SMN1; SMN2NPC1RAB9ACYP2C19

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 4 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-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 CXCR4 3648/4885SMN1; SMN2 4811/4885NPC1 1165/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT CXCR4 3648/4885SMN1; SMN2 4811/4885NPC1 1165/4885

“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.