SCHEMBL12728409

SCHEMBL12728409

Cc1nn(CCN2CCCCC2)cc1-c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.49
HTR3A P46098 2/20 0.45
ACHE P22303 2/20 0.43
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
HRH3 Q9Y5N1 4/20 0.42
SIGMAR1 Q99720 2/20 0.41
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SCN5A Q14524 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
SCHEMBL12728739 0.93 KCNH2 (0.51) KCNH2HTR3AHRH3SIGMAR1MAPK13
SCHEMBL2576067 0.84 ACHE (0.43) KCNH2HTR3AACHEHRH3SIGMAR1
SCHEMBL14134817 0.80 ALDH1A1 (0.42) MAPK13MAPK12MAPK11MAPK14
SCHEMBL12651105 0.76 COMT (0.51) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL12650889 0.76 PTGS2 (0.39) MAPK13MAPK12MAPK11MAPK14
SCHEMBL12728406 0.76 CSNK1D (0.42) KCNH2MAPK13MAPK12MAPK11MAPK14
SCHEMBL7780005 0.76 PTGS2 (0.67)
SCHEMBL2581775 0.76 HRH1 (0.44) KCNH2HTR3ADRD2DRD3HRH3
SCHEMBL2580788 0.75 LTA4H (0.43) KCNH2HRH3MEN1HTTKMT2A
SCHEMBL12728412 0.75 BRAF (0.38) MAPK13MAPK12MAPK11MAPK14

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-7919507-B2 N-aroyl cyclic amines SMITHKLINE BEECHAM LIMITED (GB) 2011-04-05 US disclosed
US-7741329-B2 N-aroyl cyclic amines SMITHKLINE BEECHAM LIMITED (GB) 2010-06-22 US disclosed
US-20090093478-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.I.C. 2009-04-09 US disclosed
US-20090029986-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.L.C. 2009-01-29 US disclosed
US-20090012073-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.L.C. 2009-01-08 US disclosed
US-7432270-B2 N-aroyl cyclic amines SMITHKLINE BEECHAM P.L.C. (GB) 2008-10-07 US 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 (3 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-20090012073-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB KCNH2 1182/4885HTR3A 55/4885ACHE 121/4885
US-20090093478-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB KCNH2 1182/4885HTR3A 55/4885ACHE 121/4885
US-20090029986-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB KCNH2 1182/4885HTR3A 55/4885ACHE 121/4885

“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.