SCHEMBL4296019

SCHEMBL4296019

O=C(c1ncn([C@H]2CCCC[C@H]2O)c1-c1ccccc1F)N1CCNC[C@H]1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA4 P22748 2/20 0.44
CA9 Q16790 2/20 0.44
DPP7 Q9UHL4 2/20 0.42
REN P00797 2/20 0.41
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
TSPO P30536 1/20 0.36
OPRK1 P41145 1/20 0.36
HTR2B P41595 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
SLC18A3 Q16572 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL4284096 0.94 DPP4 (0.43) DPP4CA1CA2CA4CA9
SCHEMBL4295394 0.89 CA1 (0.47) DPP4CA1CA2CA4CA9
SCHEMBL4281941 0.89 CA1 (0.47) DPP4CA1CA2CA4CA9
SCHEMBL4293971 0.89 CA1 (0.47) DPP4CA1CA2CA4CA9
SCHEMBL4292390 0.89 CA1 (0.47) DPP4CA1CA2CA4CA9
SCHEMBL4292421 0.88 CA1 (0.44) DPP4CA1CA2CA4CA9
SCHEMBL4290616 0.88 CA1 (0.46) DPP4CA1CA2CA4CA9
SCHEMBL4290619 0.88 CA1 (0.46) DPP4CA1CA2CA4CA9
SCHEMBL4290621 0.88 CA1 (0.46) DPP4CA1CA2CA4CA9
SCHEMBL13705359 0.88 CA1 (0.46) DPP4CA1CA2CA4CA9

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 DPP4 113/4885CA1 2275/4885CA2 218/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT DPP4 113/4885CA1 2275/4885CA2 218/4885

“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.