SCHEMBL3453118

SCHEMBL3453118

O=C1C(Cc2c(Cl)cc(-c3ccc(CN4CCOCC4)cc3)cc2Cl)CCN1C1CCc2[nH]cnc2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 2/20 0.38
KCNH2 Q12809 1/20 0.36
MCHR1 Q99705 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
JAK2 O60674 2/20 0.35
EZH2 Q15910 1/20 0.34
SYK P43405 2/20 0.34
AURKA O14965 1/20 0.34
LCK P06239 1/20 0.34
MET P08581 1/20 0.34
KIT P10721 1/20 0.34
MAPK1 P28482 1/20 0.34
KDR P35968 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
GSK3B P49841 1/20 0.34
JAK3 P52333 1/20 0.34
EPHB4 P54760 1/20 0.34
PDK1 Q15118 1/20 0.34
MAPKAPK5 Q8IW41 1/20 0.34

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
SCHEMBL3453284 0.91 PIK3CA (0.36) JAK2SYKMAPK1
SCHEMBL3453285 0.91 PIK3CA (0.36) JAK2SYKMAPK1
SCHEMBL3453287 0.91 PIK3CA (0.36) JAK2SYKMAPK1
SCHEMBL3458949 0.88 JAK2 (0.37) KCNH2HRH3JAK2MAPK8MAPK9
SCHEMBL3458946 0.88 JAK2 (0.37) KCNH2HRH3JAK2MAPK8MAPK9
SCHEMBL3458944 0.88 JAK2 (0.37) KCNH2HRH3JAK2MAPK8MAPK9
SCHEMBL3454124 0.87 HRH3 (0.38) MAPKAPK2HRH3JAK2MET
SCHEMBL3452979 0.87 HRH3 (0.38) MAPKAPK2HRH3JAK2MET
SCHEMBL3454123 0.87 HRH3 (0.38) MAPKAPK2HRH3JAK2MET
SCHEMBL3452841 0.87 ROCK2 (0.34)

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
EP-2029576-B1 CYCLOHEXYLIMIDAZOLE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2013-06-19 EP claimed
US-7820659-B2 Cyclohexylimidiazole lactam derivatives as inhibitors of 11-β-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2010-10-26 US claimed
US-20090088428-A1 CYCLOHEXYLIMIDIAZOLE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY 2009-04-02 US claimed
EP-2029576-B1 CYCLOHEXYLIMIDAZOLE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2013-06-19 EP disclosed
EP-2029576-B1 CYCLOHEXYLIMIDAZOLE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2013-06-19 EP disclosed
US-7820659-B2 Cyclohexylimidiazole lactam derivatives as inhibitors of 11-β-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2010-10-26 US disclosed
US-7820659-B2 Cyclohexylimidiazole lactam derivatives as inhibitors of 11-β-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2010-10-26 US disclosed
US-20090088428-A1 CYCLOHEXYLIMIDIAZOLE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY 2009-04-02 US disclosed
US-20090088428-A1 CYCLOHEXYLIMIDIAZOLE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY 2009-04-02 US disclosed
WO-2007124329-A1 CYCLOHEXYLIMIDAZOLE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-01 WO 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-20090088428-A1 CYCLOHEXYLIMIDIAZOLE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD17B1, HSD11B2 MAPKAPK2 3653/4885KCNH2 4258/4885MCHR1 3173/4885

“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.