SCHEMBL3547818

SCHEMBL3547818

N#Cc1cncc(-c2ccc(CC3CCN(C4CCCCC4)C3=O)c(Cl)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.48
BACE1 P56817 3/20 0.43
CYP11B1 P15538 4/20 0.37
CYP11B2 P19099 4/20 0.37
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
PGR P06401 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
KCNH2 Q12809 1/20 0.35
ROCK2 O75116 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNB3 Q05901 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
MAP4K4 O95819 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
Hydrochloric Acid SCHEMBL3549197 0.99 HSD11B1 (0.47) HSD11B1BACE1CYP11B1CYP11B2GSK3B
SCHEMBL3545963 0.85 HSD11B1 (0.48) HSD11B1BACE1PGRHRH3ROCK2
SCHEMBL3550336 0.84 HSD11B1 (0.43) HSD11B1CYP11B2KCNH2ROCK2
SCHEMBL2990062 0.84 HSD11B1 (0.51) HSD11B1CYP11B2HRH3
SCHEMBL3550286 0.83 HSD11B1 (0.45) HSD11B1CYP11B1CYP11B2ROCK2
SCHEMBL3551424 0.83 HSD11B1 (0.43) HSD11B1CYP11B1CYP11B2GSK3BDYRK1A
SCHEMBL3001080 0.83 HSD11B1 (0.48) HSD11B1BACE1CYP11B1CYP11B2ROCK2
Hydrochloric Acid SCHEMBL3892112 0.83 HSD11B1 (0.42) HSD11B1CYP11B1CYP11B2GSK3BDYRK1A
SCHEMBL3548235 0.82 HSD11B1 (0.49) HSD11B1PGRROCK2
Hydrochloric Acid SCHEMBL3997563 0.82 HSD11B1 (0.47) HSD11B1BACE1CYP11B1CYP11B2ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713979-B2 Cycloalkyl lactam derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2010-05-11 US claimed
EP-1807072-B1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2009-01-07 EP claimed
US-20080275043-A1 Cycloalkyl Lactam Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-11-06 US claimed
US-20100184764-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2010-07-22 US disclosed
US-20100184764-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2010-07-22 US disclosed
US-7713979-B2 Cycloalkyl lactam derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2010-05-11 US disclosed
US-7713979-B2 Cycloalkyl lactam derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2010-05-11 US disclosed
US-20080275043-A1 Cycloalkyl Lactam Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-11-06 US disclosed
US-20080275043-A1 Cycloalkyl Lactam Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-11-06 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 (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-20080275043-A1 Cycloalkyl Lactam Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSDL2, HSD17B1 HSD11B1 1/4885BACE1 24/4885CYP11B1 12/4885
US-20100184764-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD17B1, HSD3B1 HSD11B1 1/4885BACE1 52/4885CYP11B1 17/4885

“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.