SCHEMBL3753388

SCHEMBL3753388

CC(C)(C)OC(=O)CCCOc1ccc2c(Cl)c(CC3CCN(C4CCCCC4)C3=O)sc2c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
HSD11B1 P28845 1/20 0.36
PDE3B Q13370 4/20 0.36
PDE3A Q14432 4/20 0.36
DYRK1A Q13627 1/20 0.35
ESR1 P03372 6/20 0.33
ESR2 Q92731 6/20 0.33
ENPP3 O14638 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL3743985 0.89 HSD11B1 (0.41) PDE4APDE4BPDE4CPDE4DHSD11B1
SCHEMBL3750937 0.84 HSD11B1 (0.39) HSD11B1PDE3BPDE3ADYRK1AESR1
Hydrochloric Acid SCHEMBL3743281 0.83 HSD11B1 (0.39) HSD11B1PDE3BPDE3ADYRK1AESR1
SCHEMBL3745664 0.82 MPI (0.46) HSD11B1DYRK1AESR1ESR2ALDH1A1
SCHEMBL3744013 0.79 HSD11B1 (0.42) HSD11B1DYRK1AESR1ESR2
SCHEMBL3747968 0.79 CYP3A4 (0.42) HSD11B1DYRK1AESR1ESR2ALDH1A1
SCHEMBL3740652 0.77 HSD11B1 (0.47) HSD11B1PDE3ADYRK1AESR1ESR2
SCHEMBL3736136 0.75 HSD11B1 (0.47) HSD11B1ALDH1A1SMN1; SMN2
SCHEMBL3741941 0.73 HSD11B1 (0.57) HSD11B1ALDH1A1
SCHEMBL3753393 0.73 PDE3B (0.38) PDE4APDE4BPDE4CPDE4DPDE3B

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-7834194-B2 Metabolic disorders; antidiabetic agents; hypoglycemic agents; obesity; hypotensive agents ELI LILLY AND COMPANY (US) 2010-11-16 US disclosed
US-20080207691-A1 Cycloalkyl Lactam Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-08-28 US disclosed
EP-1830840-B1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2008-07-16 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-20080207691-A1 Cycloalkyl Lactam Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD17B1, HSD17B10 PDE4A 2431/4885PDE4B 2900/4885PDE4C 3240/4885

“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.