SCHEMBL4468114

SCHEMBL4468114

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

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 15/20 0.57
MAPK13 O15264 1/20 0.40
GCGR P47871 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
NISCH Q9Y2I1 1/20 0.38
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34

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 0.87 NPY5R (0.55) NPY5RNISCHCHRNB4CHRNA3
SCHEMBL4479203 0.85 NPY5R (0.52) NPY5R
SCHEMBL4473192 0.84 NPY5R (0.57) NPY5RGCGRMAPK14NISCH
SCHEMBL4469985 0.84 NPY5R (0.57) NPY5RNISCHLMNA
SCHEMBL4463810 0.83 NPY5R (0.41) NPY5R
Hydrochloric Acid SCHEMBL4459285 0.83 NPY5R (0.56) NPY5RGCGRMAPK14NISCH
SCHEMBL4471827 0.82 NPY5R (0.59) NPY5RNISCHMAPT
SCHEMBL4469075 0.81 NPY5R (0.60) NPY5RNISCH
SCHEMBL4462845 0.81 NPY5R (0.60) NPY5RNISCH
SCHEMBL4471785 0.79 NPY5R (0.44) NPY5R

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 9/4885MAPK13 1012/4885GCGR 25/4885
US-20030158418-A1 Novel imidazonline compounds NPY1R, NPY2R, GPR119 NPY5R 4/4885MAPK13 1134/4885GCGR 40/4885

“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.