SCHEMBL2997952

SCHEMBL2997952

C[C@@H]1CCCC[C@@H]1N1CCC(Cc2c(Cl)cc(-c3ccncc3)cc2Cl)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.36
HTR6 P50406 1/20 0.35
GRM2 Q14416 3/20 0.34
MAPK13 O15264 2/20 0.34
MAPK12 P53778 2/20 0.34
MAPK11 Q15759 2/20 0.34
MAPK14 Q16539 2/20 0.34
HCAR1 Q9BXC0 1/20 0.33
ROCK2 O75116 1/20 0.33
PDE5A O76074 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE7A Q13946 1/20 0.32
PDE1C Q14123 1/20 0.32
PDE3A Q14432 1/20 0.32
CYP19A1 P11511 2/20 0.32
CYP17A1 P05093 1/20 0.31
CYP21A2 P08686 1/20 0.31
CYP11B1 P15538 1/20 0.31

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
SCHEMBL2997574 1.00 HSD11B1 (0.36) HSD11B1HTR6GRM2MAPK13MAPK12
SCHEMBL2997955 1.00 HSD11B1 (0.36) HSD11B1HTR6GRM2MAPK13MAPK12
Hydrochloric Acid SCHEMBL3892718 0.99 HSD11B1 (0.36) HSD11B1HTR6GRM2MAPK13MAPK12
Hydrochloric Acid SCHEMBL3892717 0.99 HSD11B1 (0.36) HSD11B1HTR6GRM2MAPK13MAPK12
Hydrochloric Acid SCHEMBL3892715 0.99 HSD11B1 (0.36) HSD11B1HTR6GRM2MAPK13MAPK12
SCHEMBL13955084 0.94 AURKA (0.34) HSD11B1HTR6GRM2MAPK13MAPK12
SCHEMBL2999700 0.87 ROCK2 (0.37) HSD11B1HTR6GRM2MAPK13MAPK12
SCHEMBL3548661 0.87 HSD11B1 (0.51) HSD11B1HTR6GRM2ROCK2PDE5A
Hydrochloric Acid SCHEMBL3885742 0.86 ROCK2 (0.37) HSD11B1HTR6GRM2MAPK13MAPK12
Hydrochloric Acid SCHEMBL3879425 0.86 HSD11B1 (0.50) HSD11B1HTR6GRM2ROCK2PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184764-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2010-07-22 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

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 1/4885HTR6 1540/4885GRM2 2073/4885
US-20100184764-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD17B1, HSD3B1 HSD11B1 1/4885HTR6 1777/4885GRM2 2563/4885

“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.