SCHEMBL3753393

SCHEMBL3753393

CC(C)(C)OC(=O)CCCOc1ccc2c(Cl)c(C(C3CCCCC3)C3CCNC3=O)sc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 11/20 0.38
PDE3A Q14432 11/20 0.38
DYRK1A Q13627 1/20 0.34
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
ABCG2 Q9UNQ0 1/20 0.32
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
KDM4E B2RXH2 1/20 0.31
PDE5A O76074 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
PTAFR P25105 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
SCHEMBL3743991 0.89 PDE3B (0.39) PDE3BPDE3ADYRK1AESR1ESR2
SCHEMBL3744016 0.79 RXRB (0.39) DYRK1AESR1ESR2MEN1KMT2A
SCHEMBL3753388 0.73 PDE4A (0.37) PDE3BPDE3ADYRK1APDE4APDE4B
SCHEMBL4697044 0.71 PDE3B (0.43) PDE3BPDE3AMEN1KMT2AKDM4E
SCHEMBL2998775 0.71 MEN1 (0.38) PDE3BPDE3AMEN1KMT2AKDM4E
SCHEMBL3002787 0.70 MEN1 (0.37) PDE3BPDE3AMEN1KMT2AKDM4E
SCHEMBL4698593 0.68 PDE3B (0.42) PDE3BPDE3AMEN1KMT2AKDM4E
SCHEMBL3554796 0.68 FFAR4 (0.41) PDE3BPDE3AMEN1KMT2AALDH1A1
SCHEMBL5325213 0.68 PDE3B (0.36) PDE3BPDE3ADYRK1AMEN1KMT2A
SCHEMBL3548869 0.67 FFAR4 (0.42) PDE3BPDE3AMEN1KMT2AALDH1A1

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 PDE3B 1327/4885PDE3A 1357/4885DYRK1A 4695/4885

“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.