SCHEMBL4470152

SCHEMBL4470152

COC(=N)c1cccc(C#N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.48
GSK3B P49841 2/20 0.47
P4HB P07237 1/20 0.43
S1PR3 Q99500 1/20 0.42
ENPP2 Q13822 1/20 0.42
VNN1 O95497 1/20 0.41
DYRK1A Q13627 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
ABCC9 O60706 1/20 0.40
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
KCNJ8 Q15842 1/20 0.40
GAA P10253 1/20 0.40
SCN8A Q9UQD0 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
GPR139 Q6DWJ6 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL1478816 0.80 GRM5 (0.42) GRM5
SCHEMBL14821933 0.79 GSK3B (0.51) GRM5GSK3BP4HBS1PR3ENPP2
SCHEMBL60040 0.79 MRGPRX4 (0.56) GRM5GSK3BP4HBGPR139PLAU
SCHEMBL30444713 0.79 MRGPRX4 (0.56) GRM5GSK3BP4HBGPR139PLAU
SCHEMBL28597456 0.78 P4HB (0.56) GSK3BP4HBVNN1PRSS1PRSS2
SCHEMBL9220626 0.77 CA2 (0.45) GSK3BENPP2ALDH1A1MAPT
SCHEMBL1421301 0.76 GSK3B (0.49) GRM5GSK3BS1PR3ENPP2VNN1
SCHEMBL6313275 0.76 GSK3B (0.49) GRM5GSK3BS1PR3ENPP2VNN1
SCHEMBL6491742 0.76 GSK3B (0.53) GRM5GSK3BP4HBVNN1GAA
SCHEMBL9608570 0.76 PRSS1 (0.53) GSK3BPRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GRM5 228/4885GSK3B 1613/4885P4HB 3875/4885
US-20030158418-A1 Novel imidazonline compounds NPY1R, NPY2R, GPR119 GRM5 190/4885GSK3B 1196/4885P4HB 4338/4885

“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.