SCHEMBL5228828

SCHEMBL5228828

COCOc1cccnc1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.41
MAPK14 Q16539 1/20 0.41
KDM4E B2RXH2 1/20 0.38
HSP90AA1 P07900 1/20 0.38
KEAP1 Q14145 3/20 0.37
NFE2L2 Q16236 2/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
POLB P06746 1/20 0.36
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
HRH1 P35367 1/20 0.36
MET P08581 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
SCHEMBL5210157 0.86 L3MBTL1 (0.43) LTA4HMAPK14KDM4EKEAP1NFE2L2
SCHEMBL14178648 0.85 KEAP1 (0.37) KDM4EHSP90AA1KEAP1NFE2L2CHRM1
SCHEMBL29986908 0.85 KEAP1 (0.46) LTA4HMAPK14KDM4EKEAP1NFE2L2
SCHEMBL27928053 0.85 KEAP1 (0.46) LTA4HMAPK14KDM4EKEAP1NFE2L2
SCHEMBL1445934 0.83 L3MBTL1 (0.39) KDM4EKEAP1NFE2L2MAPTTDP1
SCHEMBL6628054 0.80 ALDH1A1 (0.50) KDM4ECHRM2CHRM4CHRM5CHRM1
SCHEMBL12036778 0.80 GCK (0.38) MAPTL3MBTL1
Sulfuric Acid SCHEMBL28280142 0.77 NFE2L2 (0.47) KDM4EHSP90AA1KEAP1NFE2L2POLB
SCHEMBL5231058 0.77 LTA4H (0.34) LTA4HHRH1MAPTMAPK1TDP1
SCHEMBL16237889 0.77 ALDH1A1 (0.35) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1375496-B1 N-ARYL-SUBSTITUTED CYCLIC AMINE DERIVATIVE AND MEDICINE CONTAINING THE SAME AS ACTIVE INGREDIENT EISAI R&D MAN CO LTD (JP) 2007-07-04 EP disclosed
US-7112593-B2 N-aryl-substituted cyclic amine derivative and medicine containing the same as active ingredient EISAI CO., LTD. (JP) 2006-09-26 US disclosed
EP-1217001-B1 QUINUCLIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT EISAI CO LTD (JP) 2005-12-07 EP disclosed
US-20040072830-A1 N-aryl-substituted cyclic amine derivative and medicine containing the same as active ingredient EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-04-15 US disclosed
EP-1375496-A1 N-ARYL-SUBSTITUTED CYCLIC AMINE DERIVATIVE AND MEDICINE CONTAINING THE SAME AS ACTIVE INGREDIENT Eisai Co., Ltd. (JP) 2004-01-02 EP disclosed
US-6599917-B1 A squalene-synthesizing enzyme inhibitor, a cholesterol biosynthesis inhibitor and a triglyceride biosynthesis inhibitor EISAI CO., LTD. (JP) 2003-07-29 US disclosed
EP-1217001-A1 QUINUCLIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT Eisai Co., Ltd. (JP) 2002-06-26 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 (1 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-20040072830-A1 N-aryl-substituted cyclic amine derivative and medicine containing the same as active ingredient COASY, HCCS, SQLE LTA4H 1145/4885MAPK14 2791/4885KDM4E 2089/4885

“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.