SCHEMBL4287889

SCHEMBL4287889

O=C(O)N[C@H]1CCCC[C@@H]1n1cnc(C(=O)N2CCNC[C@H]2Cc2ccccc2)c1-c1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.41
DPP7 Q9UHL4 2/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
CA9 Q16790 2/20 0.40
REN P00797 2/20 0.38
HCRTR1 O43613 6/20 0.37
HCRTR2 O43614 6/20 0.37
CYP3A4 P08684 1/20 0.37
SCD5 Q86SK9 1/20 0.35
CPT1A P50416 1/20 0.34
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33

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
SCHEMBL4291277 0.95 DPP4 (0.39) DPP4DPP7CA1CA2CA4
SCHEMBL4296474 0.92 CA1 (0.44) DPP4DPP7CA1CA2CA4
SCHEMBL4283871 0.92 CA1 (0.44) DPP4DPP7CA1CA2CA4
SCHEMBL4289518 0.92 CA1 (0.44) DPP4DPP7CA1CA2CA4
SCHEMBL4283733 0.92 CA1 (0.44) DPP4DPP7CA1CA2CA4
SCHEMBL4287655 0.92 DPP4 (0.41) DPP4DPP7CA1CA2CA4
SCHEMBL4284834 0.91 CA1 (0.38) DPP4DPP7CA1CA2CA4
SCHEMBL4292773 0.91 DPP4 (0.43) DPP4DPP7CA1CA2CA4
SCHEMBL4281927 0.89 CA1 (0.41) DPP4DPP7CA1CA2CA4
Malonic Acid SCHEMBL4283461 0.89 CA1 (0.36) DPP4DPP7CA1CA2CA4

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 113/4885DPP7 131/4885CA1 2275/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT DPP4 113/4885DPP7 131/4885CA1 2275/4885

“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.