SCHEMBL4281677

SCHEMBL4281677

O=C(O)N1CCN(Cc2ccccc2)C[C@H]1C=Cc1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
AGTR2 P50052 1/20 0.46
DPP4 P27487 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
POLB P06746 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
MAOA P21397 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
MAOB P27338 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
F2R P25116 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
SCHEMBL4281674 1.00 L3MBTL1 (0.47) L3MBTL1AGTR2DPP4DPP7POLB
SCHEMBL8117701 0.86 L3MBTL1 (0.42) L3MBTL1AGTR2DPP4DPP7POLB
SCHEMBL3493181 0.80 AGTR2 (0.55) AGTR2SIGMAR1ALDH1A1KDM4EMEN1
SCHEMBL3493519 0.80 AGTR2 (0.50) AGTR2SIGMAR1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL3493515 0.80 AGTR2 (0.50) AGTR2SIGMAR1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL3491903 0.80 CYP3A4 (0.47) AGTR2SIGMAR1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL3491909 0.80 CYP3A4 (0.47) AGTR2SIGMAR1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL19897302 0.77 MAOA (0.42) DPP4RAB9AMAOAKMT2AMAOB
SCHEMBL19897304 0.77 MAOA (0.42) DPP4RAB9AMAOAKMT2AMAOB
SCHEMBL4296363 0.76 SLC18A3 (0.34) L3MBTL1DPP4DPP7SIGMAR1MAOA

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
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 L3MBTL1 3597/4885AGTR2 5/4885DPP4 113/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT L3MBTL1 3597/4885AGTR2 5/4885DPP4 113/4885

“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.