SCHEMBL4289693

SCHEMBL4289693

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCNC[C@H]2Cc2cccnc2)c1-c1cccc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.38
NAMPT P43490 1/20 0.36
USP19 O94966 3/20 0.34
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
CYP3A4 P08684 1/20 0.33
REN P00797 1/20 0.33
CHRNA7 P36544 2/20 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
SCHEMBL4289705 0.94 USP19 (0.36) DPP4USP19HCRTR1HCRTR2CYP3A4
SCHEMBL4293872 0.93 USP19 (0.39) DPP4USP19HCRTR1HCRTR2CYP3A4
SCHEMBL4281650 0.93 USP19 (0.39) DPP4USP19HCRTR1HCRTR2CYP3A4
SCHEMBL13705395 0.92 DPP4 (0.39) DPP4USP19RENCHRNA7
SCHEMBL4292735 0.92 USP19 (0.36) DPP4USP19HCRTR1HCRTR2CYP3A4
SCHEMBL4292301 0.92 USP19 (0.36) DPP4USP19HCRTR1HCRTR2CYP3A4
Hydrochloric Acid SCHEMBL4286557 0.92 DPP4 (0.39) DPP4USP19REN
SCHEMBL4293870 0.89 USP19 (0.35) DPP4USP19HCRTR1HCRTR2CYP3A4
SCHEMBL4283650 0.88 USP19 (0.36) DPP4USP19HCRTR1HCRTR2
SCHEMBL13705378 0.86 USP19 (0.38) DPP4USP19HCRTR1HCRTR2CYP3A4

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 113/4885NAMPT 638/4885USP19 1993/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT DPP4 113/4885NAMPT 638/4885USP19 1993/4885

“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.