SCHEMBL4471785

SCHEMBL4471785

Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cccc(OC(F)(F)F)c3)=N2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 6/20 0.44
XDH P47989 1/20 0.38
GALR1 P47211 1/20 0.38
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
SLC5A1 P13866 4/20 0.37
CTSD P07339 1/20 0.37
BACE1 P56817 1/20 0.37
BACE2 Q9Y5Z0 1/20 0.37
HSD11B1 P28845 1/20 0.37
DYRK1A Q13627 1/20 0.37
KCNH2 Q12809 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
SCN9A Q15858 1/20 0.37
SLC6A9 P48067 1/20 0.37
USP7 Q93009 1/20 0.36

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
SCHEMBL4474451 0.82 NPY5R (0.55) NPY5R
SCHEMBL4471827 0.81 NPY5R (0.59) NPY5R
SCHEMBL4469985 0.79 NPY5R (0.57) NPY5R
Hydrochloric Acid SCHEMBL4459285 0.78 NPY5R (0.56) NPY5RCTSDBACE1
SCHEMBL4462845 0.76 NPY5R (0.60) NPY5RBACE1KCNH2
SCHEMBL4469075 0.76 NPY5R (0.60) NPY5RDYRK1A
SCHEMBL4478948 0.74 NPY5R (0.61) NPY5R
SCHEMBL4466490 0.74 NPY5R (0.61) NPY5R
SCHEMBL4472900 0.73 NPY5R (0.58) NPY5RBACE1
SCHEMBL4479177 0.73 NPY5R (0.57) NPY5RBACE1KCNH2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7064142-B2 Imidazonline compounds BANYU PHARMACEUTICAL, CO., LTD. (JP) 2006-06-20 US claimed
EP-1264826-B1 NOVEL IMIDAZOLINE COMPOUNDS BANYU PHARMA CO LTD (JP) 2005-03-30 EP claimed
US-20030158418-A1 Novel imidazonline compounds MSD K.K. (JP) 2003-08-21 US claimed
EP-1264826-A1 NOVEL IMIDAZOLINE COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-12-11 EP claimed
US-7482358-B2 Imidazoline compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-01-27 US disclosed
US-20060135559-A1 Novel imidazoline compounds MSD K.K. (JP) 2006-06-22 US disclosed
US-7064142-B2 Imidazonline compounds BANYU PHARMACEUTICAL, CO., LTD. (JP) 2006-06-20 US disclosed
EP-1264826-B1 NOVEL IMIDAZOLINE COMPOUNDS BANYU PHARMA CO LTD (JP) 2005-03-30 EP disclosed
US-20030158418-A1 Novel imidazonline compounds MSD K.K. (JP) 2003-08-21 US disclosed
EP-1264826-A1 NOVEL IMIDAZOLINE COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-12-11 EP 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-20060135559-A1 Novel imidazoline compounds GPR119, NPY1R, NPY2R NPY5R 9/4885XDH 2594/4885GALR1 69/4885
US-20030158418-A1 Novel imidazonline compounds NPY1R, NPY2R, GPR119 NPY5R 4/4885XDH 2021/4885GALR1 63/4885

“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.