SCHEMBL4461602

SCHEMBL4461602

N#Cc1cccc(C2=NC(c3cccnc3)(c3ccccc3F)CN2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.43
NPY5R Q15761 2/20 0.41
CHRNB2 P17787 2/20 0.38
CHRNA5 P30532 2/20 0.38
CHRNA4 P43681 2/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
KCNH2 Q12809 3/20 0.37
KCNA5 P22460 1/20 0.37
BACE1 P56817 5/20 0.37
BACE2 Q9Y5Z0 1/20 0.37
NEK1 Q96PY6 1/20 0.37
VNN1 O95497 1/20 0.36
IDO1 P14902 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.35
CYP11B2 P19099 2/20 0.35
CYP17A1 P05093 1/20 0.35
CYP11B1 P15538 1/20 0.35

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
SCHEMBL4465709 0.86 NPY5R (0.52) MAOBNPY5RCHRNB2CHRNA5CHRNA4
SCHEMBL4460542 0.82 MAOB (0.43) MAOBNPY5RCHRNB2CHRNA5CHRNA4
SCHEMBL4476587 0.78 MAOB (0.47) MAOBNPY5RGABRG2GABRB3GABRA5
SCHEMBL4473104 0.78 MAOB (0.47) MAOBNPY5RBACE1BACE2ABCG2
SCHEMBL4479177 0.78 NPY5R (0.57) MAOBNPY5RGABRG2GABRB3GABRA5
SCHEMBL4460067 0.77 MAOB (0.51) MAOBNPY5RGABRG2GABRB3GABRA5
SCHEMBL4460021 0.76 MAOB (0.52) MAOBNPY5RGABRG2GABRB3GABRA5
SCHEMBL4462845 0.76 NPY5R (0.60) MAOBNPY5RGABRG2GABRB3GABRA5
SCHEMBL4479530 0.76 MAOB (0.44) MAOBNPY5RKCNH2BACE1ABCG2
SCHEMBL4461713 0.75 NPY5R (0.56) MAOBNPY5RGABRG2GABRB3GABRA5

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 MAOB 1890/4885NPY5R 9/4885CHRNB2 176/4885
US-20030158418-A1 Novel imidazonline compounds NPY1R, NPY2R, GPR119 MAOB 1639/4885NPY5R 4/4885CHRNB2 136/4885

“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.