SCHEMBL4456781

SCHEMBL4456781

N#Cc1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(Cl)nc3)CN2)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 13/20 0.50
KCNH2 Q12809 4/20 0.48
MAOB P27338 1/20 0.43
GABRG2 P18507 3/20 0.39
GABRB3 P28472 3/20 0.39
GABRA5 P31644 3/20 0.39
GABRA3 P34903 3/20 0.39
CLK4 Q9HAZ1 1/20 0.36
MAPK1 P28482 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
SCHEMBL4462845 0.89 NPY5R (0.60) NPY5RKCNH2MAOBGABRG2GABRB3
SCHEMBL4479177 0.86 NPY5R (0.57) NPY5RKCNH2MAOBGABRG2GABRB3
SCHEMBL4465709 0.86 NPY5R (0.52) NPY5RKCNH2MAOBGABRG2GABRB3
SCHEMBL4461713 0.85 NPY5R (0.56) NPY5RKCNH2MAOBGABRG2GABRB3
SCHEMBL4471502 0.83 NPY5R (0.48) NPY5RKCNH2MAOBGABRG2GABRB3
SCHEMBL4470007 0.83 NPY5R (0.48) NPY5RKCNH2MAOBGABRG2GABRB3
SCHEMBL4479869 0.83 NPY5R (0.49) NPY5RKCNH2MAOBGABRG2GABRB3
SCHEMBL4472466 0.83 MAOB (0.52) NPY5RKCNH2MAOBCLK4
SCHEMBL4479203 0.82 NPY5R (0.52) NPY5RKCNH2MAOBGABRG2GABRB3
SCHEMBL4473201 0.81 NPY5R (0.46) NPY5RKCNH2MAOBGABRG2GABRB3

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-20060135559-A1 Novel imidazoline compounds MSD K.K. (JP) 2006-06-22 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 9/4885KCNH2 473/4885MAOB 1890/4885
US-20030158418-A1 Novel imidazonline compounds NPY1R, NPY2R, GPR119 NPY5R 4/4885KCNH2 493/4885MAOB 1639/4885

“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.