SCHEMBL4296362

SCHEMBL4296362

O=C(c1ncn([C@H]2CCCC[C@H]2O)c1-c1ccccc1)N1CCN(Cc2ccccc2)C[C@H]1/C=C/c1ccccc1F

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 4/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
DPP4 P27487 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
MAOA P21397 2/20 0.32
MAOB P27338 1/20 0.32
EGFR P00533 1/20 0.32
KCNH2 Q12809 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL4296363 1.00 SLC18A3 (0.34) SLC18A3L3MBTL1PDCD1CD274DPP4
SCHEMBL4286142 0.88 HDAC8 (0.36) SLC18A3CYP2D6CYP3A4CYP2C9KCNH2
SCHEMBL4286141 0.88 HDAC8 (0.36) SLC18A3CYP2D6CYP3A4CYP2C9KCNH2
SCHEMBL4284624 0.79 CA1 (0.41) SLC18A3DPP4DPP7CYP2D6EGFR
SCHEMBL4284825 0.77 CA1 (0.37) SLC18A3L3MBTL1CYP2D6CHRM1CYP3A4
SCHEMBL4284827 0.77 CA1 (0.37) SLC18A3L3MBTL1CYP2D6CHRM1CYP3A4
SCHEMBL13705146 0.77 CA1 (0.37) SLC18A3L3MBTL1CYP2D6CHRM1CYP3A4
SCHEMBL4284830 0.77 CA1 (0.37) SLC18A3L3MBTL1CYP2D6CHRM1CYP3A4
SCHEMBL4281674 0.76 L3MBTL1 (0.47) L3MBTL1DPP4DPP7MAOAMAOB
SCHEMBL4281677 0.76 L3MBTL1 (0.47) L3MBTL1DPP4DPP7MAOAMAOB

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 SLC18A3 2243/4885L3MBTL1 3597/4885PDCD1 3380/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT SLC18A3 2243/4885L3MBTL1 3597/4885PDCD1 3380/4885

“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.