SCHEMBL4294620

SCHEMBL4294620

O=C(O)N1CCN(C(=O)O)[C@H](CCn2cc(C3CC3)nn2)C1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.36
DPP4 P27487 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
EPHX2 P34913 1/20 0.32
CACNA1C Q13936 1/20 0.32
PAX8 Q06710 1/20 0.32
GPR88 Q9GZN0 1/20 0.30

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
SCHEMBL4283151 0.82 HRH4 (0.34) DPP4HRH4HRH3
SCHEMBL4295181 0.81 DPP4 (0.33) DPP4GPR88
SCHEMBL4283869 0.81 POLB (0.44) HRH4HRH3
SCHEMBL4284757 0.77 GPR88 (0.35) HRH4HRH3GPR88
SCHEMBL4292395 0.77 ALDH1A1 (0.47) GPR88
SCHEMBL4285493 0.74 LMNA (0.36)
SCHEMBL4281324 0.71 PDE10A (0.41)
SCHEMBL4284114 0.71 MCHR1 (0.35)
SCHEMBL4291731 0.70 SMN1; SMN2 (0.38)
SCHEMBL4296626 0.69 KMT2A (0.46)

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 CYP19A1 705/4885DPP4 113/4885HRH4 616/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT CYP19A1 705/4885DPP4 113/4885HRH4 616/4885

“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.