SCHEMBL8104556

SCHEMBL8104556

Cc1nc2ccc(OCC[C@@H]3CN(C(=O)OCc4ccccc4)CCN3)cc2o1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.39
PPARA Q07869 6/20 0.39
ENPP2 Q13822 1/20 0.38
ATXN2 Q99700 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
PPARG P37231 5/20 0.37
GRIN2B Q13224 4/20 0.37
MAOB P27338 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ACHE P22303 1/20 0.36
MAOA P21397 1/20 0.36
P2RY12 Q9H244 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TLR9 Q9NR96 1/20 0.36

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
SCHEMBL8112899 0.94 CXCR4 (0.39) CXCR4PPARAENPP2ATXN2SIGMAR1
SCHEMBL8104479 0.91 CXCR4 (0.39) CXCR4PPARAENPP2ATXN2SIGMAR1
SCHEMBL4285108 0.87 SIGMAR1 (0.39) SIGMAR1TLR9
SCHEMBL8118254 0.84 NPC1 (0.43) CXCR4PPARASIGMAR1PPARGGRIN2B
SCHEMBL8115913 0.84 CXCR4 (0.39) CXCR4ENPP2ATXN2GRIN2BMEN1
SCHEMBL13705349 0.84 GPR183 (0.45) CXCR4ENPP2ATXN2MEN1KMT2A
SCHEMBL8124047 0.84 GPR183 (0.43) CXCR4ENPP2ATXN2PPARGGRIN2B
SCHEMBL13705354 0.83 CXCR4 (0.43) CXCR4GRIN2BMEN1KMT2ANPSR1
SCHEMBL13705343 0.83 POLB (0.42) CXCR4ENPP2ATXN2SIGMAR1GRIN2B
SCHEMBL4860535 0.81 SMN1; SMN2 (0.47) CXCR4GRIN2BMEN1KMT2ANPSR1

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 5 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
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 CXCR4 3648/4885PPARA 1588/4885ENPP2 3719/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT CXCR4 3648/4885PPARA 1588/4885ENPP2 3719/4885

“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.